Exact Mass: 525.1998716
Exact Mass Matches: 525.1998716
Found 116 metabolites which its exact mass value is equals to given mass value 525.1998716,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
9-Hydroxy-9-methoxycarbonyl-8-methyl-14-n-propoxy-2,3,9,10-tetrahydro-8,11-epoxy-1H,8H,11H-2,7b,11a-triazadibenzo(a,g)cycloocta(cde)trinden-1-one
methyl 16-hydroxy-15-methyl-3-oxo-23-propoxy-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1^{15,18}.0^{2,6}.0^{7,27}.0^{8,13}.0^{19,26}.0^{20,25}]octacosa-1,6,8,10,12,20(25),21,23,26-nonaene-16-carboxylate
(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-3,4-dimethoxybenzoate|(6beta,7beta,8beta,10beta)-8,10-epoxy-7,8-dimethoxy-2,3-(methylenedioxy)hasubanan-6-yl-3,4-dimethoxybenzoate|hernsubanine B
(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-3,4-dimethoxybenzoate|(6beta,7beta,8beta,10beta)-8,10-epoxy-7,8-dimethoxy-2,3-(methylenedioxy)hasubanan-6-yl-3,4-dimethoxybenzoate|hernsubanine B
Ala Cys Phe Trp
(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-aminopropanamido]-3-sulfanylpropanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanoic acid
Ala Cys Trp Phe
(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-aminopropanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanoic acid
Ala Phe Cys Trp
(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-phenylpropanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanoic acid
Ala Phe Trp Cys
(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanoic acid
Ala Trp Cys Phe
(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-3-phenylpropanoic acid
Ala Trp Phe Cys
(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]-3-sulfanylpropanoic acid
Cys Ala Phe Trp
(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]propanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanoic acid
Cys Ala Trp Phe
(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]propanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanoic acid
Cys Phe Ala Trp
(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]propanamido]-3-(1H-indol-3-yl)propanoic acid
Cys Phe Trp Ala
(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]propanoic acid
Cys Trp Ala Phe
(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]propanamido]-3-phenylpropanoic acid
Cys Trp Phe Ala
(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]propanoic acid
Asp Gln Thr Tyr
(3S)-3-amino-3-{[(1S)-3-carbamoyl-1-{[(1S,2R)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}propyl]carbamoyl}propanoic acid
Asp Gln Tyr Thr
(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanoic acid
Asp Thr Gln Tyr
(3S)-3-amino-3-{[(1S,2R)-1-{[(1S)-3-carbamoyl-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}propyl]carbamoyl}-2-hydroxypropyl]carbamoyl}propanoic acid
Asp Thr Tyr Gln
(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanoic acid
Asp Tyr Gln Thr
(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanamido]-3-hydroxybutanoic acid
Asp Tyr Thr Gln
(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]-4-carbamoylbutanoic acid
Glu Asn Thr Tyr
(4S)-4-amino-4-{[(1S)-2-carbamoyl-1-{[(1S,2R)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}ethyl]carbamoyl}butanoic acid
Glu Asn Tyr Thr
(4S)-4-amino-4-{[(1S)-2-carbamoyl-1-{[(1S)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}ethyl]carbamoyl}butanoic acid
Glu Gln Ser Tyr
(4S)-4-amino-4-{[(1S)-3-carbamoyl-1-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}propyl]carbamoyl}butanoic acid
Glu Gln Tyr Ser
(4S)-4-amino-4-{[(1S)-3-carbamoyl-1-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}propyl]carbamoyl}butanoic acid
Glu Ser Gln Tyr
(4S)-4-amino-4-{[(1S)-1-{[(1S)-3-carbamoyl-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}propyl]carbamoyl}-2-hydroxyethyl]carbamoyl}butanoic acid
Glu Ser Tyr Gln
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanoic acid
Glu Thr Asn Tyr
(4S)-4-amino-4-{[(1S,2R)-1-{[(1S)-2-carbamoyl-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid
Glu Thr Tyr Asn
(4S)-4-amino-4-{[(1S,2R)-1-{[(1S)-1-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid
Glu Tyr Asn Thr
(4S)-4-amino-4-{[(1S)-1-{[(1S)-2-carbamoyl-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}ethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid
Glu Tyr Gln Ser
(4S)-4-amino-4-{[(1S)-1-{[(1S)-3-carbamoyl-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}propyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid
Glu Tyr Ser Gln
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-4-carbamoylbutanoic acid
Glu Tyr Thr Asn
(4S)-4-amino-4-{[(1S)-1-{[(1S,2R)-1-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid
Phe Ala Cys Trp
(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]propanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanoic acid
Phe Ala Trp Cys
(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]propanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanoic acid
Phe Cys Ala Trp
(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]propanamido]-3-(1H-indol-3-yl)propanoic acid
Phe Cys Trp Ala
(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]propanoic acid
Phe Trp Ala Cys
(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]propanamido]-3-sulfanylpropanoic acid
Phe Trp Cys Ala
(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]propanoic acid
Asn Glu Thr Tyr
(4S)-4-[(2S)-2-amino-3-carbamoylpropanamido]-4-{[(1S,2R)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid
Asn Glu Tyr Thr
(4S)-4-[(2S)-2-amino-3-carbamoylpropanamido]-4-{[(1S)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid
Asn Thr Glu Tyr
(4S)-4-[(2S,3R)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-hydroxybutanamido]-4-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid
Asn Thr Tyr Glu
(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]pentanedioic acid
Asn Tyr Glu Thr
(4S)-4-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}butanoic acid
Asn Tyr Thr Glu
(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]pentanedioic acid
Gln Asp Thr Tyr
(3S)-3-[(2S)-2-amino-4-carbamoylbutanamido]-3-{[(1S,2R)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}propanoic acid
Gln Asp Tyr Thr
(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanoic acid
Gln Glu Ser Tyr
(4S)-4-[(2S)-2-amino-4-carbamoylbutanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}butanoic acid
Gln Glu Tyr Ser
(4S)-4-[(2S)-2-amino-4-carbamoylbutanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid
Gln Ser Glu Tyr
(4S)-4-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-hydroxypropanamido]-4-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid
Gln Ser Tyr Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]pentanedioic acid
Gln Thr Asp Tyr
(3S)-3-[(2S,3R)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-hydroxybutanamido]-3-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid
Gln Thr Tyr Asp
(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]butanedioic acid
Gln Tyr Asp Thr
(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]-3-hydroxybutanoic acid
Gln Tyr Glu Ser
(4S)-4-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanamido]-4-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}butanoic acid
Gln Tyr Ser Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]pentanedioic acid
Gln Tyr Thr Asp
(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]butanedioic acid
Ser Glu Gln Tyr
(4S)-4-[(2S)-2-amino-3-hydroxypropanamido]-4-{[(1S)-3-carbamoyl-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}propyl]carbamoyl}butanoic acid
Ser Glu Tyr Gln
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-carboxybutanamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanoic acid
Ser Gln Glu Tyr
(4S)-4-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-carbamoylbutanamido]-4-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid
Ser Gln Tyr Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanamido]pentanedioic acid
Ser Tyr Glu Gln
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-4-carboxybutanamido]-4-carbamoylbutanoic acid
Ser Tyr Gln Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanamido]pentanedioic acid
Thr Asp Gln Tyr
(3S)-3-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-{[(1S)-3-carbamoyl-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}propyl]carbamoyl}propanoic acid
Thr Asp Tyr Gln
(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanoic acid
Thr Glu Asn Tyr
(4S)-4-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-{[(1S)-2-carbamoyl-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}ethyl]carbamoyl}butanoic acid
Thr Glu Tyr Asn
(4S)-4-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-{[(1S)-1-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid
Thr Asn Glu Tyr
(4S)-4-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-carbamoylpropanamido]-4-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid
Thr Asn Tyr Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanamido]pentanedioic acid
Thr Gln Asp Tyr
(3S)-3-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-carbamoylbutanamido]-3-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid
Thr Gln Tyr Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanamido]butanedioic acid
Thr Tyr Asp Gln
(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]-4-carbamoylbutanoic acid
Thr Tyr Glu Asn
(4S)-4-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]-4-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}butanoic acid
Thr Tyr Asn Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanamido]pentanedioic acid
Thr Tyr Gln Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanamido]butanedioic acid
Trp Ala Cys Phe
(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]propanamido]-3-sulfanylpropanamido]-3-phenylpropanoic acid
Trp Ala Phe Cys
(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]propanamido]-3-phenylpropanamido]-3-sulfanylpropanoic acid
Trp Cys Ala Phe
(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]propanamido]-3-phenylpropanoic acid
Trp Cys Phe Ala
(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-3-phenylpropanamido]propanoic acid
Trp Phe Ala Cys
(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]propanamido]-3-sulfanylpropanoic acid
Trp Phe Cys Ala
(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]-3-sulfanylpropanamido]propanoic acid
Tyr Asp Gln Thr
(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]-4-carbamoylbutanamido]-3-hydroxybutanoic acid
Tyr Asp Thr Gln
(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]-3-hydroxybutanamido]-4-carbamoylbutanoic acid
Tyr Glu Asn Thr
(4S)-4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-{[(1S)-2-carbamoyl-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}ethyl]carbamoyl}butanoic acid
Tyr Glu Gln Ser
(4S)-4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-{[(1S)-3-carbamoyl-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}propyl]carbamoyl}butanoic acid
Tyr Glu Ser Gln
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-carboxybutanamido]-3-hydroxypropanamido]-4-carbamoylbutanoic acid
Tyr Glu Thr Asn
(4S)-4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-{[(1S,2R)-1-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid
Tyr Asn Glu Thr
(4S)-4-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanamido]-4-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}butanoic acid
Tyr Asn Thr Glu
(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanamido]-3-hydroxybutanamido]pentanedioic acid
Tyr Gln Asp Thr
(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanamido]-3-carboxypropanamido]-3-hydroxybutanoic acid
Tyr Gln Glu Ser
(4S)-4-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanamido]-4-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}butanoic acid
Tyr Gln Ser Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanamido]-3-hydroxypropanamido]pentanedioic acid
Tyr Gln Thr Asp
(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanamido]-3-hydroxybutanamido]butanedioic acid
Tyr Ser Glu Gln
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-4-carboxybutanamido]-4-carbamoylbutanoic acid
Tyr Ser Gln Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-4-carbamoylbutanamido]pentanedioic acid
Tyr Thr Asp Gln
(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]-3-carboxypropanamido]-4-carbamoylbutanoic acid
Tyr Thr Glu Asn
(4S)-4-[(2S,3R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]-4-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}butanoic acid
Tyr Thr Asn Glu
(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]-3-carbamoylpropanamido]pentanedioic acid
Tyr Thr Gln Asp
(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]-4-carbamoylbutanamido]butanedioic acid
(1R)-2-[[6-[2-[(2,6-Dichlorobenzyl)oxy]ethoxy]hexyl]amino]-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)ethanol
(1R)-2-[[6-[2-[(2,6-Dichlorobenzyl)oxy]ethoxy]hexyl]amino]-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)ethanol
CID 14392216
9-Hydroxy-9-methoxycarbonyl-8-methyl-14-n-propoxy-2,3,9,10-tetrahydro-8,11-epoxy-1H,8H,11H-2,7b,11a-triazadibenzo(a,g)cycloocta(cde)trinden-1-one
D004791 - Enzyme Inhibitors
9-Hydroxy-9-methoxycarbonyl-8-methyl-14-n-propoxy-2,3,9,10-tetrahydro-8,11-epoxy-1H,8H,11H-2,7b,11a-triazadibenzo(a,g)cycloocta(cde)trinden-1-one
9-Hydroxy-9-methoxycarbonyl-8-methyl-14-n-propoxy-2,3,9,10-tetrahydro-8,11-epoxy-1H,8H,11H-2,7b,11a-triazadibenzo(a,g)cycloocta(cde)trinden-1-one
D004791 - Enzyme Inhibitors
(S)-JDQ-443
(S)-JDQ-443
C29H28ClN7O (525.2043748000001)
(S)-JDQ-443 is an isomer of JDQ-443 (HY-139612). JDQ-443 is an orally active, potent, selective, and covalent KRAS G12C inhibitor (extracted from patent WO2021120890A1). JDQ-443 shows antitumor activity[1][2].
Opnurasib
Opnurasib
C29H28ClN7O (525.2043748000001)
Opnurasib (JDQ-443) (NVP-JDQ443) is an orally active, potent, selective, and covalent KRAS G12C inhibitor (extracted from patent WO2021120890A1). Opnurasib shows antitumor activity[1][2].
2-({[(2s,4s,5r)-5-(aminomethyl)-4-hydroxyoxolan-2-yl]oxy}[(2s,3s,5r)-3-hydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl)-1,4-dimethyl-3-oxo-2,7-dihydro-1,4-diazepine-5-carboxylic acid
2-({[(2s,4s,5r)-5-(aminomethyl)-4-hydroxyoxolan-2-yl]oxy}[(2s,3s,5r)-3-hydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl)-1,4-dimethyl-3-oxo-2,7-dihydro-1,4-diazepine-5-carboxylic acid
(2s)-1-{[(3r,3as,4s,9as,9bs)-9-(hydroxymethyl)-4-{[2-(4-hydroxyphenyl)acetyl]oxy}-6-methyl-2,7-dioxo-3h,3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-3-yl]methyl}pyrrolidine-2-carboxylic acid
(2s)-1-{[(3r,3as,4s,9as,9bs)-9-(hydroxymethyl)-4-{[2-(4-hydroxyphenyl)acetyl]oxy}-6-methyl-2,7-dioxo-3h,3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-3-yl]methyl}pyrrolidine-2-carboxylic acid
10-chloro-19-hydroxy-4,5,24-trimethyl-22-oxo-26,27-dioxa-7-azaheptacyclo[21.3.1.0¹,²⁰.0⁴,¹⁹.0⁵,¹⁶.0⁶,¹⁴.0⁸,¹³]heptacosa-6(14),8,10,12,20-pentaen-24-yl acetate
10-chloro-19-hydroxy-4,5,24-trimethyl-22-oxo-26,27-dioxa-7-azaheptacyclo[21.3.1.0¹,²⁰.0⁴,¹⁹.0⁵,¹⁶.0⁶,¹⁴.0⁸,¹³]heptacosa-6(14),8,10,12,20-pentaen-24-yl acetate
2-({[5-(aminomethyl)-4-hydroxyoxolan-2-yl]oxy}[3-hydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl)-1,4-dimethyl-3-oxo-2,7-dihydro-1,4-diazepine-5-carboxylic acid
2-({[5-(aminomethyl)-4-hydroxyoxolan-2-yl]oxy}[3-hydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl)-1,4-dimethyl-3-oxo-2,7-dihydro-1,4-diazepine-5-carboxylic acid
1-{[9-(hydroxymethyl)-4-{[2-(4-hydroxyphenyl)acetyl]oxy}-6-methyl-2,7-dioxo-3h,3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-3-yl]methyl}pyrrolidine-2-carboxylic acid
1-{[9-(hydroxymethyl)-4-{[2-(4-hydroxyphenyl)acetyl]oxy}-6-methyl-2,7-dioxo-3h,3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-3-yl]methyl}pyrrolidine-2-carboxylic acid
(1r,4r,5s,16s,19s,23r,24s)-10-chloro-19-hydroxy-4,5,24-trimethyl-22-oxo-26,27-dioxa-7-azaheptacyclo[21.3.1.0¹,²⁰.0⁴,¹⁹.0⁵,¹⁶.0⁶,¹⁴.0⁸,¹³]heptacosa-6(14),8,10,12,20-pentaen-24-yl acetate
(1r,4r,5s,16s,19s,23r,24s)-10-chloro-19-hydroxy-4,5,24-trimethyl-22-oxo-26,27-dioxa-7-azaheptacyclo[21.3.1.0¹,²⁰.0⁴,¹⁹.0⁵,¹⁶.0⁶,¹⁴.0⁸,¹³]heptacosa-6(14),8,10,12,20-pentaen-24-yl acetate