Exact Mass: 537.1634882000001

Exact Mass Matches: 537.1634882000001

Found 250 metabolites which its exact mass value is equals to given mass value 537.1634882000001, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

3-Demethylsimmondsin 2'-(Z)-ferulate

2-{[(2E)-2-(cyanomethylidene)-3,4-dihydroxy-5-methoxycyclohexyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid

C25H31NO12 (537.1846166)


3-Demethylsimmondsin 2-(Z)-ferulate is found in coffee and coffee products. 3-Demethylsimmondsin 2-(Z)-ferulate is a constituent of jojoba meal Constituent of jojoba meal. 3-Demethylsimmondsin 2-(Z)-ferulate is found in coffee and coffee products, fats and oils, and nuts.

   

4-Demethylsimmondsin 2'-(E)-ferulate

2-{[(2E)-2-(cyanomethylidene)-3,5-dihydroxy-4-methoxycyclohexyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C25H31NO12 (537.1846166)


4-Demethylsimmondsin 2-(E)-ferulate is found in coffee and coffee products. 4-Demethylsimmondsin 2-(E)-ferulate is a constituent of jojoba meal Constituent of jojoba meal. 4-Demethylsimmondsin 2-(E)-ferulate is found in coffee and coffee products, fats and oils, and nuts.

   

N-[4-[(4As)-1,2,4,4a,5,11-hexahydro-[1,4]oxazino[3,4-c][1,4]benzodiazepine-6-carbonyl]-3-chlorophenyl]-2-phenylbenzamide

N-(3-chloro-4-{13-oxa-1,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-3,5,7-triene-9-carbonyl}phenyl)-[1,1-biphenyl]-2-carboxamide

C32H28ClN3O3 (537.1819088000001)


   

Desmethyl Bosentan

4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-hydroxyphenoxy)-2-(pyrimidin-2-yl)pyrimidin-4-yl]benzene-1-sulfonamide

C26H27N5O6S (537.1681962)


   
   
   
   

10-(Methylsulfonyl)decyl glucosinolate

10-(Methylsulfonyl)decyl glucosinolate

C18H35NO11S3 (537.137216)


   
   
   

N-(2,12-dimethoxy-3,11,16-trimethyl-1,4,10,13-tetraoxo-1,5,6,7,9,10,13,14,14a,15-decahydro-4H-6,15-epiazano-benzo[4,5]azocino[1,2-b]isoquinolin-9-ylmethyl)-2-oxo-propionamide|Saframycin B

N-(2,12-dimethoxy-3,11,16-trimethyl-1,4,10,13-tetraoxo-1,5,6,7,9,10,13,14,14a,15-decahydro-4H-6,15-epiazano-benzo[4,5]azocino[1,2-b]isoquinolin-9-ylmethyl)-2-oxo-propionamide|Saframycin B

C28H31N3O8 (537.2111046)


   

4-(2-hydroxyethyl)phenyl 5-O-nicotinyl-beta-D-apiofuranosyl(1->2)-beta-D-glucopyranoside|cucurbitoside H

4-(2-hydroxyethyl)phenyl 5-O-nicotinyl-beta-D-apiofuranosyl(1->2)-beta-D-glucopyranoside|cucurbitoside H

C25H31NO12 (537.1846166)


   
   

(2S,3S,4R,4aS,6S,11bS)-1,2,3,4,5,6-hexahydro-3,4-dimethoxy-4a,11b-(epiminoethano)-4,6-epoxyphenanthro[2,3-d][1,3]dioxol-2-yl-(2Z)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate|(6beta,7beta,8beta,10beta)-8,10-epoxy-7,8-dimethoxy-2,3-(methylenedioxy)hasubanan-6-yl-(Z)-3-hydroxy-4-methoxycinnamate|hernsubanine A

(2S,3S,4R,4aS,6S,11bS)-1,2,3,4,5,6-hexahydro-3,4-dimethoxy-4a,11b-(epiminoethano)-4,6-epoxyphenanthro[2,3-d][1,3]dioxol-2-yl-(2Z)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate|(6beta,7beta,8beta,10beta)-8,10-epoxy-7,8-dimethoxy-2,3-(methylenedioxy)hasubanan-6-yl-(Z)-3-hydroxy-4-methoxycinnamate|hernsubanine A

C29H31NO9 (537.1998716)


   
   

Hydroxyomeprazole-5-O-glucuronide

Hydroxyomeprazole-5-O-glucuronide

C23H27N3O10S (537.1417082)


   

Ala Met Met Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanoic acid

C24H35N5O5S2 (537.2079500000001)


   

Ala Met Trp Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanoic acid

C24H35N5O5S2 (537.2079500000001)


   

Ala Trp Met Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanoic acid

C24H35N5O5S2 (537.2079500000001)


   

Cys Asp Asp Trp

(3S)-3-[(2R)-2-amino-3-sulfanylpropanamido]-3-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}ethyl]carbamoyl}propanoic acid

C22H27N5O9S (537.1529412000001)


   

Cys Asp Trp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

C22H27N5O9S (537.1529412000001)


   

Cys Glu Met Arg

(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1S)-1-{[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C19H35N7O7S2 (537.203928)


   

Cys Glu Arg Met

(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butyl]carbamoyl}butanoic acid

C19H35N7O7S2 (537.203928)


   

Cys Glu Thr Trp

(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1S,2R)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid

C23H31N5O8S (537.1893246)


   

Cys Glu Trp Thr

(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1S)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C23H31N5O8S (537.1893246)


   

Cys Met Glu Arg

(4S)-4-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-4-{[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl}butanoic acid

C19H35N7O7S2 (537.203928)


   

Cys Met Arg Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-5-carbamimidamidopentanamido]pentanedioic acid

C19H35N7O7S2 (537.203928)


   

Cys Met Val Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-methylbutanamido]-3-(1H-indol-3-yl)propanoic acid

C24H35N5O5S2 (537.2079500000001)


   

Cys Met Trp Val

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-3-methylbutanoic acid

C24H35N5O5S2 (537.2079500000001)


   

Cys Arg Glu Met

(4S)-4-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C19H35N7O7S2 (537.203928)


   

Cys Arg Met Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid

C19H35N7O7S2 (537.203928)


   

Cys Thr Glu Trp

(4S)-4-[(2S,3R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxybutanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C23H31N5O8S (537.1893246)


   

Cys Thr Trp Glu

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid

C23H31N5O8S (537.1893246)


   

Cys Val Met Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-methylbutanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanoic acid

C24H35N5O5S2 (537.2079500000001)


   

Cys Val Trp Met

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-methylbutanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanoic acid

C24H35N5O5S2 (537.2079500000001)


   

Cys Trp Asp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]butanedioic acid

C22H27N5O9S (537.1529412000001)


   

Cys Trp Glu Thr

(4S)-4-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-4-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}butanoic acid

C23H31N5O8S (537.1893246)


   

Cys Trp Met Val

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-methylbutanoic acid

C24H35N5O5S2 (537.2079500000001)


   

Cys Trp Thr Glu

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]pentanedioic acid

C23H31N5O8S (537.1893246)


   

Cys Trp Val Met

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]-4-(methylsulfanyl)butanoic acid

C24H35N5O5S2 (537.2079500000001)


   

Asp Cys Asp Trp

(3S)-3-[(2R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-sulfanylpropanamido]-3-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C22H27N5O9S (537.1529412000001)


   

Asp Cys Trp Asp

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

C22H27N5O9S (537.1529412000001)


   

Asp Asp Cys Trp

(3S)-3-[(2S)-2-amino-3-carboxypropanamido]-3-{[(1R)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}propanoic acid

C22H27N5O9S (537.1529412000001)


   

Asp Asp Trp Cys

(3S)-3-[(2S)-2-amino-3-carboxypropanamido]-3-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C22H27N5O9S (537.1529412000001)


   

Asp Glu Phe Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-carboxybutanamido]-3-phenylpropanamido]-4-carbamoylbutanoic acid

C23H31N5O10 (537.2070826)


   

Asp Glu Gln Phe

(4S)-4-[(2S)-2-amino-3-carboxypropanamido]-4-{[(1S)-3-carbamoyl-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}propyl]carbamoyl}butanoic acid

C23H31N5O10 (537.2070826)


   

Asp Phe Glu Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-phenylpropanamido]-4-carboxybutanamido]-4-carbamoylbutanoic acid

C23H31N5O10 (537.2070826)


   

Asp Phe Gln Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-phenylpropanamido]-4-carbamoylbutanamido]pentanedioic acid

C23H31N5O10 (537.2070826)


   

Asp Met Ser Trp

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

C23H31N5O8S (537.1893246)


   

Asp Met Trp Ser

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

C23H31N5O8S (537.1893246)


   

Asp Gln Glu Phe

(4S)-4-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-carbamoylbutanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid

C23H31N5O10 (537.2070826)


   

Asp Gln Phe Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-carbamoylbutanamido]-3-phenylpropanamido]pentanedioic acid

C23H31N5O10 (537.2070826)


   

Asp Ser Met Trp

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-hydroxyethyl]carbamoyl}propanoic acid

C23H31N5O8S (537.1893246)


   

Asp Ser Trp Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanoic acid

C23H31N5O8S (537.1893246)


   

Asp Trp Cys Asp

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]butanedioic acid

C22H27N5O9S (537.1529412000001)


   

Asp Trp Asp Cys

(3S)-3-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}propanoic acid

C22H27N5O9S (537.1529412000001)


   

Asp Trp Met Ser

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C23H31N5O8S (537.1893246)


   

Asp Trp Ser Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanoic acid

C23H31N5O8S (537.1893246)


   

Glu Cys Met Arg

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-carboxybutanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-5-carbamimidamidopentanoic acid

C19H35N7O7S2 (537.203928)


   

Glu Cys Arg Met

(4S)-4-amino-4-{[(1R)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C19H35N7O7S2 (537.203928)


   

Glu Cys Thr Trp

(4S)-4-amino-4-{[(1R)-1-{[(1S,2R)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C23H31N5O8S (537.1893246)


   

Glu Cys Trp Thr

(4S)-4-amino-4-{[(1R)-1-{[(1S)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C23H31N5O8S (537.1893246)


   

Glu Asp Phe Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-carboxypropanamido]-3-phenylpropanamido]-4-carbamoylbutanoic acid

C23H31N5O10 (537.2070826)


   

Glu Asp Gln Phe

(4S)-4-amino-4-{[(1S)-1-{[(1S)-3-carbamoyl-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}propyl]carbamoyl}-2-carboxyethyl]carbamoyl}butanoic acid

C23H31N5O10 (537.2070826)


   

Glu Glu Phe Asn

(4S)-4-[(2S)-2-amino-4-carboxybutanamido]-4-{[(1S)-1-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}-2-phenylethyl]carbamoyl}butanoic acid

C23H31N5O10 (537.2070826)


   

Glu Glu Asn Phe

(4S)-4-[(2S)-2-amino-4-carboxybutanamido]-4-{[(1S)-2-carbamoyl-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C23H31N5O10 (537.2070826)


   

Glu Phe Asp Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-phenylpropanamido]-3-carboxypropanamido]-4-carbamoylbutanoic acid

C23H31N5O10 (537.2070826)


   

Glu Phe Glu Asn

(4S)-4-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-phenylpropanamido]-4-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}butanoic acid

C23H31N5O10 (537.2070826)


   

Glu Phe Asn Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-phenylpropanamido]-3-carbamoylpropanamido]pentanedioic acid

C23H31N5O10 (537.2070826)


   

Glu Phe Gln Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-phenylpropanamido]-4-carbamoylbutanamido]butanedioic acid

C23H31N5O10 (537.2070826)


   

Glu Met Cys Arg

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-5-carbamimidamidopentanoic acid

C19H35N7O7S2 (537.203928)


   

Glu Met Met Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-4-carbamoylbutanoic acid

C20H35N5O8S2 (537.1926950000001)


   

Glu Met Gln Met

(4S)-4-amino-4-{[(1S)-1-{[(1S)-3-carbamoyl-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}propyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C20H35N5O8S2 (537.1926950000001)


   

Glu Met Arg Cys

(4S)-4-amino-4-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C19H35N7O7S2 (537.203928)


   

Glu Asn Glu Phe

(4S)-4-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-carbamoylpropanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid

C23H31N5O10 (537.2070826)


   

Glu Asn Phe Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-carbamoylpropanamido]-3-phenylpropanamido]pentanedioic acid

C23H31N5O10 (537.2070826)


   

Glu Gln Asp Phe

(4S)-4-amino-4-{[(1S)-3-carbamoyl-1-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}ethyl]carbamoyl}propyl]carbamoyl}butanoic acid

C23H31N5O10 (537.2070826)


   

Glu Gln Phe Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-carbamoylbutanamido]-3-phenylpropanamido]butanedioic acid

C23H31N5O10 (537.2070826)


   

Glu Gln Met Met

(4S)-4-amino-4-{[(1S)-3-carbamoyl-1-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propyl]carbamoyl}butanoic acid

C20H35N5O8S2 (537.1926950000001)


   

Glu Arg Cys Met

(4S)-4-amino-4-{[(1S)-4-carbamimidamido-1-{[(1R)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butyl]carbamoyl}butanoic acid

C19H35N7O7S2 (537.203928)


   

Glu Arg Met Cys

(4S)-4-amino-4-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butyl]carbamoyl}butanoic acid

C19H35N7O7S2 (537.203928)


   

Glu Thr Cys Trp

(4S)-4-amino-4-{[(1S,2R)-1-{[(1R)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid

C23H31N5O8S (537.1893246)


   

Glu Thr Trp Cys

(4S)-4-amino-4-{[(1S,2R)-1-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid

C23H31N5O8S (537.1893246)


   

Glu Trp Cys Thr

(4S)-4-amino-4-{[(1S)-1-{[(1R)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C23H31N5O8S (537.1893246)


   

Glu Trp Thr Cys

(4S)-4-amino-4-{[(1S)-1-{[(1S,2R)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C23H31N5O8S (537.1893246)


   

Phe Asp Glu Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-carboxypropanamido]-4-carboxybutanamido]-4-carbamoylbutanoic acid

C23H31N5O10 (537.2070826)


   

Phe Asp Gln Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-carboxypropanamido]-4-carbamoylbutanamido]pentanedioic acid

C23H31N5O10 (537.2070826)


   

Phe Glu Asp Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-carboxybutanamido]-3-carboxypropanamido]-4-carbamoylbutanoic acid

C23H31N5O10 (537.2070826)


   

Phe Glu Glu Asn

(4S)-4-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-carboxybutanamido]-4-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}butanoic acid

C23H31N5O10 (537.2070826)


   

Phe Glu Asn Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-carboxybutanamido]-3-carbamoylpropanamido]pentanedioic acid

C23H31N5O10 (537.2070826)


   

Phe Glu Gln Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-carboxybutanamido]-4-carbamoylbutanamido]butanedioic acid

C23H31N5O10 (537.2070826)


   

Phe Asn Glu Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-carbamoylpropanamido]-4-carboxybutanamido]pentanedioic acid

C23H31N5O10 (537.2070826)


   

Phe Gln Asp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-carbamoylbutanamido]-3-carboxypropanamido]pentanedioic acid

C23H31N5O10 (537.2070826)


   

Phe Gln Glu Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-carbamoylbutanamido]-4-carboxybutanamido]butanedioic acid

C23H31N5O10 (537.2070826)


   

His His Met Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-carbamoylpropanoic acid

C21H31N9O6S (537.2117906)


   

His His Asn Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanamido]-4-(methylsulfanyl)butanoic acid

C21H31N9O6S (537.2117906)


   

His Met His Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanoic acid

C21H31N9O6S (537.2117906)


   

His Met Asn His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-carbamoylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C21H31N9O6S (537.2117906)


   

His Asn His Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanoic acid

C21H31N9O6S (537.2117906)


   

His Asn Met His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanamido]-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanoic acid

C21H31N9O6S (537.2117906)


   
   

Met Ala Met Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]propanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanoic acid

C24H35N5O5S2 (537.2079500000001)


   

Met Ala Trp Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]propanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanoic acid

C24H35N5O5S2 (537.2079500000001)


   

Met Cys Glu Arg

(4S)-4-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-4-{[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl}butanoic acid

C19H35N7O7S2 (537.203928)


   

Met Cys Arg Glu

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]pentanedioic acid

C19H35N7O7S2 (537.203928)


   

Met Cys Val Trp

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-methylbutanamido]-3-(1H-indol-3-yl)propanoic acid

C24H35N5O5S2 (537.2079500000001)


   

Met Cys Trp Val

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-methylbutanoic acid

C24H35N5O5S2 (537.2079500000001)


   

Met Asp Ser Trp

(3S)-3-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}propanoic acid

C23H31N5O8S (537.1893246)


   

Met Asp Trp Ser

(3S)-3-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C23H31N5O8S (537.1893246)


   

Met Glu Cys Arg

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-carboxybutanamido]-3-sulfanylpropanamido]-5-carbamimidamidopentanoic acid

C19H35N7O7S2 (537.203928)


   

Met Glu Met Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-carboxybutanamido]-4-(methylsulfanyl)butanamido]-4-carbamoylbutanoic acid

C20H35N5O8S2 (537.1926950000001)


   

Met Glu Gln Met

(4S)-4-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-{[(1S)-3-carbamoyl-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}propyl]carbamoyl}butanoic acid

C20H35N5O8S2 (537.1926950000001)


   

Met Glu Arg Cys

(4S)-4-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-{[(1S)-4-carbamimidamido-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butyl]carbamoyl}butanoic acid

C19H35N7O7S2 (537.203928)


   

Met His His Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanoic acid

C21H31N9O6S (537.2117906)


   

Met His Asn His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C21H31N9O6S (537.2117906)


   

Met Met Ala Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]propanamido]-3-(1H-indol-3-yl)propanoic acid

C24H35N5O5S2 (537.2079500000001)


   

Met Met Glu Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-4-carboxybutanamido]-4-carbamoylbutanoic acid

C20H35N5O8S2 (537.1926950000001)


   

Met Met Gln Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]pentanedioic acid

C20H35N5O8S2 (537.1926950000001)


   

Met Met Trp Ala

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]propanoic acid

C24H35N5O5S2 (537.2079500000001)


   

Met Asn His His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carbamoylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid

C21H31N9O6S (537.2117906)


   

Met Gln Glu Met

(4S)-4-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C20H35N5O8S2 (537.1926950000001)


   

Met Gln Met Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid

C20H35N5O8S2 (537.1926950000001)


   

Met Arg Cys Glu

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]pentanedioic acid

C19H35N7O7S2 (537.203928)


   

Met Arg Glu Cys

(4S)-4-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-5-carbamimidamidopentanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C19H35N7O7S2 (537.203928)


   

Met Ser Asp Trp

(3S)-3-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]-3-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C23H31N5O8S (537.1893246)


   

Met Ser Trp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

C23H31N5O8S (537.1893246)


   

Met Val Cys Trp

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-methylbutanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C24H35N5O5S2 (537.2079500000001)


   

Met Val Trp Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-methylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanoic acid

C24H35N5O5S2 (537.2079500000001)


   

Met Trp Ala Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]propanamido]-4-(methylsulfanyl)butanoic acid

C24H35N5O5S2 (537.2079500000001)


   

Met Trp Cys Val

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-3-methylbutanoic acid

C24H35N5O5S2 (537.2079500000001)


   

Met Trp Asp Ser

(3S)-3-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-3-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}propanoic acid

C23H31N5O8S (537.1893246)


   

Met Trp Met Ala

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]propanoic acid

C24H35N5O5S2 (537.2079500000001)


   

Met Trp Ser Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]butanedioic acid

C23H31N5O8S (537.1893246)


   

Met Trp Val Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]-3-sulfanylpropanoic acid

C24H35N5O5S2 (537.2079500000001)


   

Asn Glu Glu Phe

(4S)-4-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-carboxybutanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid

C23H31N5O10 (537.2070826)


   

Asn Glu Phe Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-carboxybutanamido]-3-phenylpropanamido]pentanedioic acid

C23H31N5O10 (537.2070826)


   

Asn Phe Glu Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-phenylpropanamido]-4-carboxybutanamido]pentanedioic acid

C23H31N5O10 (537.2070826)


   

Asn His His Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanoic acid

C21H31N9O6S (537.2117906)


   

Asn His Met His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanoic acid

C21H31N9O6S (537.2117906)


   

Asn Met His His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid

C21H31N9O6S (537.2117906)


   

Gln Asp Glu Phe

(4S)-4-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-carboxypropanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid

C23H31N5O10 (537.2070826)


   

Gln Asp Phe Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-carboxypropanamido]-3-phenylpropanamido]pentanedioic acid

C23H31N5O10 (537.2070826)


   

Gln Glu Asp Phe

(4S)-4-[(2S)-2-amino-4-carbamoylbutanamido]-4-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C23H31N5O10 (537.2070826)


   

Gln Glu Phe Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-carboxybutanamido]-3-phenylpropanamido]butanedioic acid

C23H31N5O10 (537.2070826)


   

Gln Glu Met Met

(4S)-4-[(2S)-2-amino-4-carbamoylbutanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C20H35N5O8S2 (537.1926950000001)


   

Gln Phe Asp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-phenylpropanamido]-3-carboxypropanamido]pentanedioic acid

C23H31N5O10 (537.2070826)


   

Gln Phe Glu Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-phenylpropanamido]-4-carboxybutanamido]butanedioic acid

C23H31N5O10 (537.2070826)


   

Gln Met Glu Met

(4S)-4-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C20H35N5O8S2 (537.1926950000001)


   

Gln Met Met Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid

C20H35N5O8S2 (537.1926950000001)


   

Arg Cys Glu Met

(4S)-4-[(2R)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C19H35N7O7S2 (537.203928)


   

Arg Cys Met Glu

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid

C19H35N7O7S2 (537.203928)


   

Arg Glu Cys Met

(4S)-4-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-{[(1R)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C19H35N7O7S2 (537.203928)


   

Arg Glu Met Cys

(4S)-4-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C19H35N7O7S2 (537.203928)


   

Arg Met Cys Glu

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]pentanedioic acid

C19H35N7O7S2 (537.203928)


   

Arg Met Glu Cys

(4S)-4-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C19H35N7O7S2 (537.203928)


   

Ser Asp Met Trp

(3S)-3-[(2S)-2-amino-3-hydroxypropanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

C23H31N5O8S (537.1893246)


   

Ser Asp Trp Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanoic acid

C23H31N5O8S (537.1893246)


   

Ser Met Asp Trp

(3S)-3-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]-3-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C23H31N5O8S (537.1893246)


   

Ser Met Trp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

C23H31N5O8S (537.1893246)


   

Ser Trp Asp Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanoic acid

C23H31N5O8S (537.1893246)


   

Ser Trp Met Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]butanedioic acid

C23H31N5O8S (537.1893246)


   

Thr Cys Glu Trp

(4S)-4-[(2R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-sulfanylpropanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C23H31N5O8S (537.1893246)


   

Thr Cys Trp Glu

(2S)-2-[(2S)-2-[(2R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid

C23H31N5O8S (537.1893246)


   

Thr Glu Cys Trp

(4S)-4-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-{[(1R)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C23H31N5O8S (537.1893246)


   

Thr Glu Trp Cys

(4S)-4-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C23H31N5O8S (537.1893246)


   

Thr Trp Cys Glu

(2S)-2-[(2R)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]pentanedioic acid

C23H31N5O8S (537.1893246)


   

Thr Trp Glu Cys

(4S)-4-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C23H31N5O8S (537.1893246)


   

Val Cys Met Trp

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-methylbutanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanoic acid

C24H35N5O5S2 (537.2079500000001)


   

Val Cys Trp Met

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-methylbutanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanoic acid

C24H35N5O5S2 (537.2079500000001)


   

Val Met Cys Trp

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C24H35N5O5S2 (537.2079500000001)


   

Val Met Trp Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanoic acid

C24H35N5O5S2 (537.2079500000001)


   

Val Trp Cys Met

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoic acid

C24H35N5O5S2 (537.2079500000001)


   

Val Trp Met Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoic acid

C24H35N5O5S2 (537.2079500000001)


   

Trp Ala Met Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]propanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanoic acid

C24H35N5O5S2 (537.2079500000001)


   

Trp Cys Asp Asp

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-3-carboxypropanamido]butanedioic acid

C22H27N5O9S (537.1529412000001)


   

Trp Cys Glu Thr

(4S)-4-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-4-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}butanoic acid

C23H31N5O8S (537.1893246)


   

Trp Cys Met Val

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-methylbutanoic acid

C24H35N5O5S2 (537.2079500000001)


   

Trp Cys Thr Glu

(2S)-2-[(2S,3R)-2-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-3-hydroxybutanamido]pentanedioic acid

C23H31N5O8S (537.1893246)


   

Trp Cys Val Met

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-3-methylbutanamido]-4-(methylsulfanyl)butanoic acid

C24H35N5O5S2 (537.2079500000001)


   

Trp Asp Cys Asp

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-3-sulfanylpropanamido]butanedioic acid

C22H27N5O9S (537.1529412000001)


   

Trp Asp Asp Cys

(3S)-3-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-3-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}propanoic acid

C22H27N5O9S (537.1529412000001)


   

Trp Asp Met Ser

(3S)-3-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

C23H31N5O8S (537.1893246)


   

Trp Asp Ser Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanoic acid

C23H31N5O8S (537.1893246)


   

Trp Glu Cys Thr

(4S)-4-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-{[(1R)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C23H31N5O8S (537.1893246)


   

Trp Glu Thr Cys

(4S)-4-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-{[(1S,2R)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid

C23H31N5O8S (537.1893246)


   

Trp Met Ala Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]propanamido]-4-(methylsulfanyl)butanoic acid

C24H35N5O5S2 (537.2079500000001)


   

Trp Met Cys Val

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-methylbutanoic acid

C24H35N5O5S2 (537.2079500000001)


   

Trp Met Asp Ser

(3S)-3-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}propanoic acid

C23H31N5O8S (537.1893246)


   

Trp Met Met Ala

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]propanoic acid

C24H35N5O5S2 (537.2079500000001)


   

Trp Met Ser Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]butanedioic acid

C23H31N5O8S (537.1893246)


   

Trp Met Val Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-methylbutanamido]-3-sulfanylpropanoic acid

C24H35N5O5S2 (537.2079500000001)


   

Trp Ser Asp Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanoic acid

C23H31N5O8S (537.1893246)


   

Trp Ser Met Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]butanedioic acid

C23H31N5O8S (537.1893246)


   

Trp Thr Cys Glu

(2S)-2-[(2R)-2-[(2S,3R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]-3-sulfanylpropanamido]pentanedioic acid

C23H31N5O8S (537.1893246)


   

Trp Thr Glu Cys

(4S)-4-[(2S,3R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C23H31N5O8S (537.1893246)


   

Trp Val Cys Met

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoic acid

C24H35N5O5S2 (537.2079500000001)


   

Trp Val Met Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoic acid

C24H35N5O5S2 (537.2079500000001)


   

VCADM

Val-Cys-Ala-Asp-Met

C20H35N5O8S2 (537.1926950000001)


   

4-Demethylsimmondsin 2'-(E)-ferulate

2-{[(2E)-2-(cyanomethylidene)-3,5-dihydroxy-4-methoxycyclohexyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C25H31NO12 (537.1846166)


   

3-Demethylsimmondsin 2'-(Z)-ferulate

2-{[(2E)-2-(cyanomethylidene)-3,4-dihydroxy-5-methoxycyclohexyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C25H31NO12 (537.1846166)


   
   

Methanesulfonamide,N-[5-[(diphenylphosphinyl)methyl]-4-(4-fluorophenyl)-6-(1-methylethyl)-2-pyrimidinyl]-N-methyl

Methanesulfonamide,N-[5-[(diphenylphosphinyl)methyl]-4-(4-fluorophenyl)-6-(1-methylethyl)-2-pyrimidinyl]-N-methyl

C28H29FN3O3PS (537.1651186)


   

Raloxifene Bismethyl Ether hydrochloride

Raloxifene Bismethyl Ether hydrochloride

C30H32ClNO4S (537.1740462)


   

(-)-2,3-Bis[(2R,5R)-2,5-dimethylphospholanyl]-1-[3,5-bis(trifluoromethyl)phenyl]-1H-pyrrole-2,5-dione

(-)-2,3-Bis[(2R,5R)-2,5-dimethylphospholanyl]-1-[3,5-bis(trifluoromethyl)phenyl]-1H-pyrrole-2,5-dione

C24H27F6NO2P2 (537.1421134)


   

N-{4-[4-Amino-6-(4-methoxyphenyl)furo[2,3-D]pyrimidin-5-YL]phenyl}-N-[2-fluoro-5-(trifluoromethyl)phenyl]urea

N-{4-[4-Amino-6-(4-methoxyphenyl)furo[2,3-D]pyrimidin-5-YL]phenyl}-N-[2-fluoro-5-(trifluoromethyl)phenyl]urea

C27H19F4N5O3 (537.1423952)


   
   

N-[4-[(4As)-1,2,4,4a,5,11-hexahydro-[1,4]oxazino[3,4-c][1,4]benzodiazepine-6-carbonyl]-3-chlorophenyl]-2-phenylbenzamide

N-(3-chloro-4-{13-oxa-1,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-3,5,7-triene-9-carbonyl}phenyl)-[1,1-biphenyl]-2-carboxamide

C32H28ClN3O3 (537.1819088000001)


   

4-(Diethylsulfamoyl)benzoic acid [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] ester

4-(Diethylsulfamoyl)benzoic acid [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] ester

C27H27N3O5S2 (537.1392052000001)


   

N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-pyrazolyl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]thio]acetamide

N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-pyrazolyl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]thio]acetamide

C28H26F3N5OS (537.1810062000001)


   

2-[(2,5-dimethylphenyl)sulfonylamino]-N-[4-(2-pyrimidinylsulfamoyl)phenyl]benzamide

2-[(2,5-dimethylphenyl)sulfonylamino]-N-[4-(2-pyrimidinylsulfamoyl)phenyl]benzamide

C25H23N5O5S2 (537.1140548000001)


   

N-naphthalen-2-yl-2-[[6-[[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylmethyl]pyridin-2-yl]methylsulfanyl]acetamide

N-naphthalen-2-yl-2-[[6-[[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylmethyl]pyridin-2-yl]methylsulfanyl]acetamide

C31H27N3O2S2 (537.1544602)


   

(2R,4R)-N-(1H-benzimidazol-2-ylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide

(2R,4R)-N-(1H-benzimidazol-2-ylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide

C29H26F3N3O4 (537.1875312000001)


   

6-O-(2-amino-2-deoxy-alpha-D-glucosyl)-1D-myo-inositol 1-(6-mercaptohexyl)phosphate

6-O-(2-amino-2-deoxy-alpha-D-glucosyl)-1D-myo-inositol 1-(6-mercaptohexyl)phosphate

C18H36NO13PS (537.1644896)


   

4-[(4R,5S)-5-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]benzonitrile

4-[(4R,5S)-5-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]benzonitrile

C29H32FN3O4S (537.2097444)


   

4-[(4S,5S)-5-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]benzonitrile

4-[(4S,5S)-5-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]benzonitrile

C29H32FN3O4S (537.2097444)


   

4-[(4S,5S)-5-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]benzonitrile

4-[(4S,5S)-5-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]benzonitrile

C29H32FN3O4S (537.2097444)


   

4-[(4S,5R)-5-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]benzonitrile

4-[(4S,5R)-5-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]benzonitrile

C29H32FN3O4S (537.2097444)


   

4-[(4R,5R)-5-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]benzonitrile

4-[(4R,5R)-5-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]benzonitrile

C29H32FN3O4S (537.2097444)


   

4-[(4R,5S)-5-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]benzonitrile

4-[(4R,5S)-5-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]benzonitrile

C29H32FN3O4S (537.2097444)


   

4-[(4R,5R)-5-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]benzonitrile

4-[(4R,5R)-5-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]benzonitrile

C29H32FN3O4S (537.2097444)


   

4-Demethylsimmondsin 2-ferulate

4-Demethylsimmondsin 2-ferulate

C25H31NO12 (537.1846166)


   

4-Demethylsimmondsin 2-(E)-ferulate

4-Demethylsimmondsin 2-(E)-ferulate

C25H31NO12 (537.1846166)


   

3-Demethylsimmondsin 2-(Z)-ferulate

3-Demethylsimmondsin 2-(Z)-ferulate

C25H31NO12 (537.1846166)


   
   

AR-C118925XX

AR-C118925XX

C28H23N7O3S (537.1583008)


AR-C118925XX is a selective P2Y2 receptor antagonist. AR-C118925XX inhibits ATP-induced IL-6 production and phosphorylation of p38. AR-C118925XX also inhibits Bleomycin (HY-108345)-induced dermal fibrosis in mice. AR-C118925XX also inhibits ATP-induced tumor growth[1][2].

   

OP-5244

OP-5244

C19H29ClN5O9P (537.1391344)


OP-5244 is a potent and orally active inhibitor of CD73, with an IC50 of 0.25 nM. OP-5244 reverses immunosuppression through blocking of adenosine production, and has the potential for the cancer research[1].

   

(1r,14s,15r)-15-{[(5ar,6r,8r,9r,9as)-8-(hydroxymethyl)-9-methoxy-hexahydro-2h-pyrano[3,4-f][1,3,5]trioxepin-6-yl]oxy}-14-hydroxy-5,7-dioxa-12-azatetracyclo[10.5.2.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-triene-13,17-dione

(1r,14s,15r)-15-{[(5ar,6r,8r,9r,9as)-8-(hydroxymethyl)-9-methoxy-hexahydro-2h-pyrano[3,4-f][1,3,5]trioxepin-6-yl]oxy}-14-hydroxy-5,7-dioxa-12-azatetracyclo[10.5.2.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-triene-13,17-dione

C25H31NO12 (537.1846166)


   

14-deoxy-12-(cysteine-s-yl)-andrographo-lide-3-o-sulfate

NA

C23H39NO9S2 (537.2066124)


{"Ingredient_id": "HBIN001409","Ingredient_name": "14-deoxy-12-(cysteine-s-yl)-andrographo-lide-3-o-sulfate","Alias": "NA","Ingredient_formula": "C23H39NO9S2","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5163","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

2-{[2-(cyanomethylidene)-3,5-dihydroxy-4-methoxycyclohexyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

2-{[2-(cyanomethylidene)-3,5-dihydroxy-4-methoxycyclohexyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C25H31NO12 (537.1846166)


   

(2r,3r,4s,5s,6r)-2-{[(1r,2z,3s,4r,5s)-2-(cyanomethylidene)-3,4-dihydroxy-5-methoxycyclohexyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

(2r,3r,4s,5s,6r)-2-{[(1r,2z,3s,4r,5s)-2-(cyanomethylidene)-3,4-dihydroxy-5-methoxycyclohexyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C25H31NO12 (537.1846166)


   

(5-{[4,5-dihydroxy-6-(hydroxymethyl)-2-[4-(hydroxymethyl)phenoxy]oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl)methyl 4-aminobenzoate

(5-{[4,5-dihydroxy-6-(hydroxymethyl)-2-[4-(hydroxymethyl)phenoxy]oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl)methyl 4-aminobenzoate

C25H31NO12 (537.1846166)


   

2-{[2-(cyanomethylidene)-3,4-dihydroxy-5-methoxycyclohexyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

2-{[2-(cyanomethylidene)-3,4-dihydroxy-5-methoxycyclohexyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C25H31NO12 (537.1846166)


   

[(3s,4r,5s)-5-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl pyridine-3-carboxylate

[(3s,4r,5s)-5-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl pyridine-3-carboxylate

C25H31NO12 (537.1846166)


   

(1s,14s,15r)-15-{[(5ar,6r,8r,9r,9as)-8-(hydroxymethyl)-9-methoxy-hexahydro-2h-pyrano[3,4-f][1,3,5]trioxepin-6-yl]oxy}-14-hydroxy-5,7-dioxa-12-azatetracyclo[10.5.2.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-triene-13,17-dione

(1s,14s,15r)-15-{[(5ar,6r,8r,9r,9as)-8-(hydroxymethyl)-9-methoxy-hexahydro-2h-pyrano[3,4-f][1,3,5]trioxepin-6-yl]oxy}-14-hydroxy-5,7-dioxa-12-azatetracyclo[10.5.2.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-triene-13,17-dione

C25H31NO12 (537.1846166)


   

(3s,6r)-19-{[(2s,4r,5r,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-11-hydroxy-3-[(1r)-1-hydroxyethyl]-9-methyl-5-oxa-2-azapentacyclo[11.8.0.0²,⁶.0⁷,¹².0¹⁵,²⁰]henicosa-1(13),7,9,11,15,17,19-heptaene-4,14,21-trione

(3s,6r)-19-{[(2s,4r,5r,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-11-hydroxy-3-[(1r)-1-hydroxyethyl]-9-methyl-5-oxa-2-azapentacyclo[11.8.0.0²,⁶.0⁷,¹².0¹⁵,²⁰]henicosa-1(13),7,9,11,15,17,19-heptaene-4,14,21-trione

C28H27NO10 (537.1634882000001)


   

[5-({4,5-dihydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4-dihydroxyoxolan-3-yl]methyl pyridine-3-carboxylate

[5-({4,5-dihydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4-dihydroxyoxolan-3-yl]methyl pyridine-3-carboxylate

C25H31NO12 (537.1846166)


   

3-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-6,20-difluoro-14-hydroxy-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),2(10),4(9),5,7,11(15),13,17(22),18,20-decaen-12-one

3-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-6,20-difluoro-14-hydroxy-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),2(10),4(9),5,7,11(15),13,17(22),18,20-decaen-12-one

C27H21F2N3O7 (537.1347499999999)


   

[(3s,4r,5s)-5-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[4-(hydroxymethyl)phenoxy]oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl 4-aminobenzoate

[(3s,4r,5s)-5-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[4-(hydroxymethyl)phenoxy]oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl 4-aminobenzoate

C25H31NO12 (537.1846166)


   

3-[(2r,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-6,20-difluoro-14-hydroxy-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),2(10),4(9),5,7,11(15),13,17(22),18,20-decaen-12-one

3-[(2r,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-6,20-difluoro-14-hydroxy-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),2(10),4(9),5,7,11(15),13,17(22),18,20-decaen-12-one

C27H21F2N3O7 (537.1347499999999)


   

18-chloro-3-ethyl-1,4,7,11-tetrahydroxy-6,13-bis(hydroxymethyl)-9-phenyl-3h,6h,9h,10h,13h,16h,17h,18h,18ah-pyrrolo[1,2-d]1,4,7,10,13-pentaazacyclohexadecan-14-one

18-chloro-3-ethyl-1,4,7,11-tetrahydroxy-6,13-bis(hydroxymethyl)-9-phenyl-3h,6h,9h,10h,13h,16h,17h,18h,18ah-pyrrolo[1,2-d]1,4,7,10,13-pentaazacyclohexadecan-14-one

C24H32ClN5O7 (537.1990152000001)


   

9-ethyl-4,25-dihydroxy-12-(1-hydroxyethyl)-3,16-dimethyl-13-oxa-20-azatetracyclo[16.6.1.0⁵,²⁴.0²¹,²⁵]pentacosa-1(24),2,4,10,16,21-hexaene-6,14,15,19,23-pentone

9-ethyl-4,25-dihydroxy-12-(1-hydroxyethyl)-3,16-dimethyl-13-oxa-20-azatetracyclo[16.6.1.0⁵,²⁴.0²¹,²⁵]pentacosa-1(24),2,4,10,16,21-hexaene-6,14,15,19,23-pentone

C29H31NO9 (537.1998716)


   

(1r,3s,4r,5r,7r,9r,11s,12s,13s)-5-(6-aminopurin-9-yl)-1,12-dihydroxy-13-{[(2e)-2-(hydroxymethyl)but-2-enoyl]oxy}-4-methoxy-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylic acid

(1r,3s,4r,5r,7r,9r,11s,12s,13s)-5-(6-aminopurin-9-yl)-1,12-dihydroxy-13-{[(2e)-2-(hydroxymethyl)but-2-enoyl]oxy}-4-methoxy-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylic acid

C22H27N5O11 (537.1706992000001)


   

(3s,6s)-19-{[(2s,4r,5r,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-11-hydroxy-3-[(1r)-1-hydroxyethyl]-9-methyl-5-oxa-2-azapentacyclo[11.8.0.0²,⁶.0⁷,¹².0¹⁵,²⁰]henicosa-1(13),7,9,11,15,17,19-heptaene-4,14,21-trione

(3s,6s)-19-{[(2s,4r,5r,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-11-hydroxy-3-[(1r)-1-hydroxyethyl]-9-methyl-5-oxa-2-azapentacyclo[11.8.0.0²,⁶.0⁷,¹².0¹⁵,²⁰]henicosa-1(13),7,9,11,15,17,19-heptaene-4,14,21-trione

C28H27NO10 (537.1634882000001)


   

(2r,3r,4s,5s,6r)-2-{[(1r,2z,3s,4s,5s)-2-(cyanomethylidene)-3,5-dihydroxy-4-methoxycyclohexyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

(2r,3r,4s,5s,6r)-2-{[(1r,2z,3s,4s,5s)-2-(cyanomethylidene)-3,5-dihydroxy-4-methoxycyclohexyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C25H31NO12 (537.1846166)


   

(3s,6s,9r,13s,18r,18ar)-18-chloro-3-ethyl-1,4,7,11-tetrahydroxy-6,13-bis(hydroxymethyl)-9-phenyl-3h,6h,9h,10h,13h,16h,17h,18h,18ah-pyrrolo[1,2-d]1,4,7,10,13-pentaazacyclohexadecan-14-one

(3s,6s,9r,13s,18r,18ar)-18-chloro-3-ethyl-1,4,7,11-tetrahydroxy-6,13-bis(hydroxymethyl)-9-phenyl-3h,6h,9h,10h,13h,16h,17h,18h,18ah-pyrrolo[1,2-d]1,4,7,10,13-pentaazacyclohexadecan-14-one

C24H32ClN5O7 (537.1990152000001)


   

[(3s,4r,5s)-5-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl pyridine-2-carboxylate

[(3s,4r,5s)-5-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl pyridine-2-carboxylate

C25H31NO12 (537.1846166)


   

n-{[(1s,2s,10r,13r)-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl}-2-oxopropanamide

n-{[(1s,2s,10r,13r)-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl}-2-oxopropanamide

C28H31N3O8 (537.2111046)


   

(10z,17z,19r,26r)-9-ethyl-4,12,26-trihydroxy-3,13,17-trimethyl-14-oxa-21-azatetracyclo[17.6.1.0⁵,²⁵.0²²,²⁶]hexacosa-1(25),2,4,10,17,22-hexaene-6,15,16,20,24-pentone

(10z,17z,19r,26r)-9-ethyl-4,12,26-trihydroxy-3,13,17-trimethyl-14-oxa-21-azatetracyclo[17.6.1.0⁵,²⁵.0²²,²⁶]hexacosa-1(25),2,4,10,17,22-hexaene-6,15,16,20,24-pentone

C29H31NO9 (537.1998716)


   

19-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-11-hydroxy-3-(1-hydroxyethyl)-9-methyl-5-oxa-2-azapentacyclo[11.8.0.0²,⁶.0⁷,¹².0¹⁵,²⁰]henicosa-1(13),7,9,11,15,17,19-heptaene-4,14,21-trione

19-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-11-hydroxy-3-(1-hydroxyethyl)-9-methyl-5-oxa-2-azapentacyclo[11.8.0.0²,⁶.0⁷,¹².0¹⁵,²⁰]henicosa-1(13),7,9,11,15,17,19-heptaene-4,14,21-trione

C28H27NO10 (537.1634882000001)