Exact Mass: 587.2162068

Exact Mass Matches: 587.2162068

Found 182 metabolites which its exact mass value is equals to given mass value 587.2162068, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

N-Acetyl-D-glucosaminyldiphosphodolichol

N-[(2S,3R,4R,5S,6R)-4,5-Dihydroxy-2-{[hydroxy({[hydroxy({[(6E)-3,7,11-trimethyldodeca-6,10-dien-1-yl]oxy})phosphoryl]oxy})phosphoryl]oxy}-6-(hydroxymethyl)oxan-3-yl]ethanimidate

C23H43NO12P2 (587.2260378000001)


This compound is an intermediate in N-glycan biosynthesis, and the byproduct of N-acetylglucosaminyldiphosphodolichol (EC 2.4.1.141) and UDP-N-acetylglucosamine-dolichyl-phosphate (EC 2.7.8.15). (KEGG) This compound and its corresponding enzymes are implicated in the developmental programmes of a variety of eukaryotes. (PMID: 10024536) [HMDB] This compound is an intermediate in N-glycan biosynthesis, and the byproduct of N-acetylglucosaminyldiphosphodolichol (EC 2.4.1.141) and UDP-N-acetylglucosamine-dolichyl-phosphate (EC 2.7.8.15). (KEGG) This compound and its corresponding enzymes are implicated in the developmental programmes of a variety of eukaryotes. (PMID: 10024536).

   

7-(3-((3-Acetylphenoxy)methyl)-1,5-dimethyl-1H-pyrazol-4-yl)-3-(3-(naphthalen-1-yloxy)propyl)-1H-indole-2-carboxylic acid

7-{3-[(3-acetylphenoxy)methyl]-1,5-dimethyl-1H-pyrazol-4-yl}-3-[3-(naphthalen-1-yloxy)propyl]-1H-indole-2-carboxylic acid

C36H33N3O5 (587.2420088)


   

Barasertib

2-((3-((4-((5-(2-((3-Fluorophenyl)amino)-2-oxoethyl)-1H-pyrazol-3-yl)amino)quinazolin-7-yl)oxy)propyl)(ethyl)amino)ethyl dihydrogen phosphate

C26H31FN7O6P (587.2057368)


C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor

   
   

Nothramicin

Nothramicin

C30H37NO11 (587.2366492)


An anthracycline antibiotic isolated from the culture broth of Nocardia sp. MJ896-43F17. It exhibits significant antimycobacterial activity against several drug-resistant Mycobacterium smegmatis strains.

   

7beta-hydroxy-6beta-(3,4,5-trimethoxybenzoyloxy)-3alpha-(E)-(3,4,5-trimethoxycinnamoyloxy)tropane

7beta-hydroxy-6beta-(3,4,5-trimethoxybenzoyloxy)-3alpha-(E)-(3,4,5-trimethoxycinnamoyloxy)tropane

C30H37NO11 (587.2366492)


   

6-[2-ethoxy-2-(2,4,5-trimethoxyphenyl)]ethyl-7,8-dimethoxy-5-methyl-2,3-methylenedioxy-5,6-dihydrobenzo[c]phenanthridine|buesgeniine

6-[2-ethoxy-2-(2,4,5-trimethoxyphenyl)]ethyl-7,8-dimethoxy-5-methyl-2,3-methylenedioxy-5,6-dihydrobenzo[c]phenanthridine|buesgeniine

C34H37NO8 (587.2519042)


   

3,10,11-triacetoxy-8beta-(4-acetoxybenzyl)-2-methoxyberbine|3,10,11-triacetoxy-8beta-<4-acetoxybenzyl>-2-methoxyberbine

3,10,11-triacetoxy-8beta-(4-acetoxybenzyl)-2-methoxyberbine|3,10,11-triacetoxy-8beta-<4-acetoxybenzyl>-2-methoxyberbine

C33H33NO9 (587.2155208)


   

Brominated Phosphatidylcholine C24H47BrNO8 - putative - Functions on the acyl moity have unknown location

Brominated Phosphatidylcholine C24H47BrNO8 - putative - Functions on the acyl moity have unknown location

C24H47BrNO8P (587.2222492)


   

Brominated Phosphatidylcholine mz 2+ C24H47BrNO8 - putative - Functions on the acyl moity have unknown location

Brominated Phosphatidylcholine mz 2+ C24H47BrNO8 - putative - Functions on the acyl moity have unknown location

C24H47BrNO8P (587.2222492)


   

Cys Phe Arg Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanoic acid

C27H37N7O6S (587.2525902)


   

Cys Phe Tyr Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanoic acid

C27H37N7O6S (587.2525902)


   

Cys Arg Phe Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C27H37N7O6S (587.2525902)


   

Cys Arg Tyr Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid

C27H37N7O6S (587.2525902)


   

Cys Tyr Phe Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-5-carbamimidamidopentanoic acid

C27H37N7O6S (587.2525902)


   

Cys Tyr Arg Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-3-phenylpropanoic acid

C27H37N7O6S (587.2525902)


   

Asp His 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-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid

C26H33N7O7S (587.2162068)


   

Asp His Trp Met

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

C26H33N7O7S (587.2162068)


   

Asp Lys Tyr Tyr

(3S)-3-amino-3-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}pentyl]carbamoyl}propanoic acid

C28H37N5O9 (587.2591152)


   

Asp Met His Trp

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

C26H33N7O7S (587.2162068)


   

Asp Met Trp His

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

C26H33N7O7S (587.2162068)


   

Asp Gln Tyr Tyr

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

C27H33N5O10 (587.2227318)


   

Asp Trp His Met

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

C26H33N7O7S (587.2162068)


   

Asp Trp Met His

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

C26H33N7O7S (587.2162068)


   

Asp Tyr Lys Tyr

(3S)-3-amino-3-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}pentyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C28H37N5O9 (587.2591152)


   

Asp Tyr Gln Tyr

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

C27H33N5O10 (587.2227318)


   

Asp Tyr Tyr Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]hexanoic acid

C28H37N5O9 (587.2591152)


   

Asp Tyr Tyr Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanoic acid

C27H33N5O10 (587.2227318)


   

Glu Asn Tyr Tyr

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

C27H33N5O10 (587.2227318)


   

Glu Tyr Asn Tyr

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

C27H33N5O10 (587.2227318)


   

Glu Tyr Tyr Asn

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

C27H33N5O10 (587.2227318)


   

Phe Cys Arg Tyr

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanoic acid

C27H37N7O6S (587.2525902)


   

Phe Cys Tyr Arg

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanoic acid

C27H37N7O6S (587.2525902)


   

Phe Met Gln Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanoic acid

C28H37N5O7S (587.2413572)


   

Phe Met Tyr Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanoic acid

C28H37N5O7S (587.2413572)


   

Phe Gln Met Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanoic acid

C28H37N5O7S (587.2413572)


   

Phe Gln Tyr Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanoic acid

C28H37N5O7S (587.2413572)


   

Phe Arg Cys Tyr

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C27H37N7O6S (587.2525902)


   

Phe Arg Tyr Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoic acid

C27H37N7O6S (587.2525902)


   

Phe Tyr Cys Arg

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-5-carbamimidamidopentanoic acid

C27H37N7O6S (587.2525902)


   

Phe Tyr Met Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-4-carbamoylbutanoic acid

C28H37N5O7S (587.2413572)


   

Phe Tyr Gln Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanamido]-4-(methylsulfanyl)butanoic acid

C28H37N5O7S (587.2413572)


   

Phe Tyr Arg Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-3-sulfanylpropanoic acid

C27H37N7O6S (587.2525902)


   

Gly Trp Tyr Tyr

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C31H33N5O7 (587.2379868)


   

Gly Tyr Trp Tyr

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C31H33N5O7 (587.2379868)


   

Gly Tyr Tyr Trp

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C31H33N5O7 (587.2379868)


   

His Asp Met Trp

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

C26H33N7O7S (587.2162068)


   

His Asp Trp Met

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

C26H33N7O7S (587.2162068)


   

His Met Asp Trp

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

C26H33N7O7S (587.2162068)


   

His Met Trp Asp

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

C26H33N7O7S (587.2162068)


   

His Trp Asp Met

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

C26H33N7O7S (587.2162068)


   

His Trp Met Asp

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

C26H33N7O7S (587.2162068)


   

Lys Asp Tyr Tyr

(3S)-3-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-3-[(2S)-2,6-diaminohexanamido]propanoic acid

C28H37N5O9 (587.2591152)


   

Lys Tyr Asp Tyr

(3S)-3-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-3-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(4-hydroxyphenyl)propanamido]propanoic acid

C28H37N5O9 (587.2591152)


   

Lys Tyr Tyr Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]butanedioic acid

C28H37N5O9 (587.2591152)


   

Met Asp His Trp

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

C26H33N7O7S (587.2162068)


   

Met Asp Trp His

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

C26H33N7O7S (587.2162068)


   

Met Phe Gln Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanoic acid

C28H37N5O7S (587.2413572)


   

Met Phe Tyr Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanoic acid

C28H37N5O7S (587.2413572)


   

Met His Asp Trp

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

C26H33N7O7S (587.2162068)


   

Met His Trp Asp

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

C26H33N7O7S (587.2162068)


   

Met Gln Phe Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C28H37N5O7S (587.2413572)


   

Met Gln Tyr Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid

C28H37N5O7S (587.2413572)


   

Met Trp Asp His

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

C26H33N7O7S (587.2162068)


   

Met Trp His Asp

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

C26H33N7O7S (587.2162068)


   

Met Tyr Phe Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-4-carbamoylbutanoic acid

C28H37N5O7S (587.2413572)


   

Met Tyr Gln Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanamido]-3-phenylpropanoic acid

C28H37N5O7S (587.2413572)


   

Asn Glu Tyr Tyr

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

C27H33N5O10 (587.2227318)


   

Asn Tyr Glu Tyr

(4S)-4-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C27H33N5O10 (587.2227318)


   

Asn Tyr Tyr Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]pentanedioic acid

C27H33N5O10 (587.2227318)


   

Gln Asp Tyr Tyr

(3S)-3-[(2S)-2-amino-4-carbamoylbutanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C27H33N5O10 (587.2227318)


   

Gln Phe Met Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanoic acid

C28H37N5O7S (587.2413572)


   

Gln Phe Tyr Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanoic acid

C28H37N5O7S (587.2413572)


   

Gln Met Phe Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C28H37N5O7S (587.2413572)


   

Gln Met Tyr Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid

C28H37N5O7S (587.2413572)


   

Gln Tyr Asp Tyr

(3S)-3-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C27H33N5O10 (587.2227318)


   

Gln Tyr Phe Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanoic acid

C28H37N5O7S (587.2413572)


   

Gln Tyr Met Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanoic acid

C28H37N5O7S (587.2413572)


   

Gln Tyr Tyr Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]butanedioic acid

C27H33N5O10 (587.2227318)


   

Arg Cys Phe Tyr

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C27H37N7O6S (587.2525902)


   

Arg Cys Tyr Phe

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid

C27H37N7O6S (587.2525902)


   

Arg Phe Cys Tyr

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-phenylpropanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C27H37N7O6S (587.2525902)


   

Arg Phe Tyr Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoic acid

C27H37N7O6S (587.2525902)


   

Arg Tyr Cys Phe

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-phenylpropanoic acid

C27H37N7O6S (587.2525902)


   

Arg Tyr Phe Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-sulfanylpropanoic acid

C27H37N7O6S (587.2525902)


   

Trp Asp His Met

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

C26H33N7O7S (587.2162068)


   

Trp Asp Met His

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

C26H33N7O7S (587.2162068)


   

Trp Gly Tyr Tyr

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]acetamido}-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C31H33N5O7 (587.2379868)


   

Trp His Asp Met

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

C26H33N7O7S (587.2162068)


   

Trp His Met Asp

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

C26H33N7O7S (587.2162068)


   

Trp Met Asp His

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

C26H33N7O7S (587.2162068)


   

Trp Met His Asp

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

C26H33N7O7S (587.2162068)


   

Trp Tyr Gly Tyr

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-3-(4-hydroxyphenyl)propanoic acid

C31H33N5O7 (587.2379868)


   

Trp Tyr Tyr Gly

2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]acetic acid

C31H33N5O7 (587.2379868)


   

Tyr Cys Phe Arg

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-phenylpropanamido]-5-carbamimidamidopentanoic acid

C27H37N7O6S (587.2525902)


   

Tyr Cys Arg Phe

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]-3-phenylpropanoic acid

C27H37N7O6S (587.2525902)


   

Tyr Asp Lys Tyr

(3S)-3-{[(1S)-5-amino-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}pentyl]carbamoyl}-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanoic acid

C28H37N5O9 (587.2591152)


   

Tyr Asp Gln Tyr

(3S)-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-{[(1S)-3-carbamoyl-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}propyl]carbamoyl}propanoic acid

C27H33N5O10 (587.2227318)


   

Tyr Asp Tyr Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]hexanoic acid

C28H37N5O9 (587.2591152)


   

Tyr Asp Tyr Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanoic acid

C27H33N5O10 (587.2227318)


   

Tyr Glu Asn Tyr

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

C27H33N5O10 (587.2227318)


   

Tyr Glu Tyr Asn

(4S)-4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-{[(1S)-1-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C27H33N5O10 (587.2227318)


   

Tyr Phe Cys Arg

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-sulfanylpropanamido]-5-carbamimidamidopentanoic acid

C27H37N7O6S (587.2525902)


   

Tyr Phe Met Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-4-carbamoylbutanoic acid

C28H37N5O7S (587.2413572)


   

Tyr Phe Gln Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-4-carbamoylbutanamido]-4-(methylsulfanyl)butanoic acid

C28H37N5O7S (587.2413572)


   

Tyr Phe Arg Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-5-carbamimidamidopentanamido]-3-sulfanylpropanoic acid

C27H37N7O6S (587.2525902)


   

Tyr Gly Trp Tyr

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C31H33N5O7 (587.2379868)


   

Tyr Gly Tyr Trp

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C31H33N5O7 (587.2379868)


   

Tyr Lys Asp Tyr

(3S)-3-[(2S)-6-amino-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]hexanamido]-3-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C28H37N5O9 (587.2591152)


   

Tyr Lys Tyr Asp

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]hexanamido]-3-(4-hydroxyphenyl)propanamido]butanedioic acid

C28H37N5O9 (587.2591152)


   

Tyr Met Phe Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-4-carbamoylbutanoic acid

C28H37N5O7S (587.2413572)


   

Tyr Met Gln Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]-3-phenylpropanoic acid

C28H37N5O7S (587.2413572)


   

Tyr Asn Glu Tyr

(4S)-4-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanamido]-4-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C27H33N5O10 (587.2227318)


   

Tyr Asn Tyr Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanamido]pentanedioic acid

C27H33N5O10 (587.2227318)


   

Tyr Gln Asp Tyr

(3S)-3-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanamido]-3-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C27H33N5O10 (587.2227318)


   

Tyr Gln Phe Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanoic acid

C28H37N5O7S (587.2413572)


   

Tyr Gln Met Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanoic acid

C28H37N5O7S (587.2413572)


   

Tyr Gln Tyr Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanamido]butanedioic acid

C27H33N5O10 (587.2227318)


   

Tyr Arg Cys Phe

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]-3-phenylpropanoic acid

C27H37N7O6S (587.2525902)


   

Tyr Arg Phe Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-3-phenylpropanamido]-3-sulfanylpropanoic acid

C27H37N7O6S (587.2525902)


   

Tyr Trp Gly Tyr

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]acetamido}-3-(4-hydroxyphenyl)propanoic acid

C31H33N5O7 (587.2379868)


   

Tyr Trp Tyr Gly

2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]acetic acid

C31H33N5O7 (587.2379868)


   

Tyr Tyr Asp Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]hexanoic acid

C28H37N5O9 (587.2591152)


   

Tyr Tyr Asp Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]-4-carbamoylbutanoic acid

C27H33N5O10 (587.2227318)


   

Tyr Tyr Glu Asn

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

C27H33N5O10 (587.2227318)


   

Tyr Tyr Gly Trp

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-3-(1H-indol-3-yl)propanoic acid

C31H33N5O7 (587.2379868)


   

Tyr Tyr Lys Asp

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]hexanamido]butanedioic acid

C28H37N5O9 (587.2591152)


   

Tyr Tyr Asn Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanamido]pentanedioic acid

C27H33N5O10 (587.2227318)


   

Tyr Tyr Gln Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanamido]butanedioic acid

C27H33N5O10 (587.2227318)


   

Tyr Tyr Trp Gly

2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]acetic acid

C31H33N5O7 (587.2379868)


   

N-Acetyl-D-glucosaminyldiphosphodolichol

N-Acetyl-D-glucosaminyldiphosphodolichol

C23H43NO12P2 (587.2260378000001)


   

[D-Ala2,DMet5] Enkephalin

[D-Ala2,DMet5] Enkephalin

C28H37N5O7S (587.2413572)


   
   
   

Aurora A Inhibitor I

N-(2-Chlorophenyl)-4-((2-((4-(2-(4-ethylpiperazin-1-yl)-2-oxoethyl)phenyl)amino)-5-fluoropyrimidin-4-yl)amino)benzamide

C31H31ClFN7O2 (587.2211668)


   

2-[Ethyl[3-[[4-[[1-[2-[(3-fluorophenyl)amino]-2-oxoethyl]-1H-pyrazol-4-yl]amino]quinazolin-7-yl]oxy]propyl]amino]ethyl dihydrogen phosphate

2-[Ethyl[3-[[4-[[1-[2-[(3-fluorophenyl)amino]-2-oxoethyl]-1H-pyrazol-4-yl]amino]quinazolin-7-yl]oxy]propyl]amino]ethyl dihydrogen phosphate

C26H31FN7O6P (587.2057368)


   

5-O-(4,4-Dimethoxytrityl)-N4-acetyl-2-deoxycytidine

5-O-(4,4-Dimethoxytrityl)-N4-acetyl-2-deoxycytidine

C32H33N3O8 (587.2267538000001)


   

3-Hexadecyl-1-methyl-1H-imidazolium 1,1,1-Trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide

3-Hexadecyl-1-methyl-1H-imidazolium 1,1,1-Trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide

C22H39F6N3O4S2 (587.2286046)


   

Vestipitant Mesylate

Vestipitant Mesylate

C24H28F7N3O4S (587.1688652)


C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent

   

9-(Dimethylamino)-1-{4-[(2,5-dioxopyrrolidin-1-yl)oxy]-4-oxobutyl}-11,11-dimethyl-2,3,4,11-tetrahydronaphtho[2,3-g]quinolinium perchlorate

9-(Dimethylamino)-1-{4-[(2,5-dioxopyrrolidin-1-yl)oxy]-4-oxobutyl}-11,11-dimethyl-2,3,4,11-tetrahydronaphtho[2,3-g]quinolinium perchlorate

C29H34ClN3O8 (587.2034314000001)


   

3-({1-[3-Carbamimidoyl-1-(4-carbamimidoyl-benzylcarbamoyl)-propylcarbamoyl]-2-methyl-butylsulfamoyl}-methyl)-benzoic acid

3-({1-[3-Carbamimidoyl-1-(4-carbamimidoyl-benzylcarbamoyl)-propylcarbamoyl]-2-methyl-butylsulfamoyl}-methyl)-benzoic acid

C27H37N7O6S (587.2525902)


   

(2R)-2-[(4R,5R)-4-methyl-5-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-1,1-dioxo-8-pyridin-4-yl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

(2R)-2-[(4R,5R)-4-methyl-5-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-1,1-dioxo-8-pyridin-4-yl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

C33H37N3O5S (587.2453792)


   

N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide

N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide

C29H35Cl2N5O4 (587.206597)


   

N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide

N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide

C29H35Cl2N5O4 (587.206597)


   

(2R)-2-[(4S,5R)-4-methyl-5-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-1,1-dioxo-8-pyridin-4-yl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

(2R)-2-[(4S,5R)-4-methyl-5-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-1,1-dioxo-8-pyridin-4-yl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

C33H37N3O5S (587.2453792)


   

N-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide

N-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide

C29H35Cl2N5O4 (587.206597)


   

(2S)-2-[(4S,5S)-4-methyl-5-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-1,1-dioxo-8-pyridin-4-yl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

(2S)-2-[(4S,5S)-4-methyl-5-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-1,1-dioxo-8-pyridin-4-yl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

C33H37N3O5S (587.2453792)


   

(2S)-2-[(4R,5S)-4-methyl-5-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-1,1-dioxo-8-pyridin-4-yl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

(2S)-2-[(4R,5S)-4-methyl-5-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-1,1-dioxo-8-pyridin-4-yl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

C33H37N3O5S (587.2453792)


   

(2S)-2-[(4S,5R)-4-methyl-5-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-1,1-dioxo-8-pyridin-4-yl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

(2S)-2-[(4S,5R)-4-methyl-5-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-1,1-dioxo-8-pyridin-4-yl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

C33H37N3O5S (587.2453792)


   

2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(3-hydroxy-5-oxo-1,7-diphenylheptan-4-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid

2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(3-hydroxy-5-oxo-1,7-diphenylheptan-4-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid

C29H37N3O8S (587.2301242000001)


   

2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2-hydroxy-5-oxo-1,7-diphenylheptyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid

2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2-hydroxy-5-oxo-1,7-diphenylheptyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid

C29H37N3O8S (587.2301242000001)


   

2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(1-hydroxy-5-oxo-1,7-diphenylheptan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid

2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(1-hydroxy-5-oxo-1,7-diphenylheptan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid

C29H37N3O8S (587.2301242000001)


   

2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(4-hydroxy-5-oxo-1,7-diphenylheptan-3-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid

2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(4-hydroxy-5-oxo-1,7-diphenylheptan-3-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid

C29H37N3O8S (587.2301242000001)


   

[3-hydroxy-2-[(Z)-16-(81Br)bromanyl-5-hydroxyhexadec-12-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

[3-hydroxy-2-[(Z)-16-(81Br)bromanyl-5-hydroxyhexadec-12-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

C24H47BrNO8P (587.2222492)


   

[3-hydroxy-2-[(Z)-16-(79Br)bromanyl-5-hydroxyhexadec-12-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

[3-hydroxy-2-[(Z)-16-(79Br)bromanyl-5-hydroxyhexadec-12-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

C24H47BrNO8P (587.2222492)


   

Barasertib

Barasertib

C26H31FN7O6P (587.2057368)


C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor

   
   
   

(3s,6s,7r)-6-hydroxy-8-methyl-7-{[(2e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-3-yl 3,4,5-trimethoxybenzoate

(3s,6s,7r)-6-hydroxy-8-methyl-7-{[(2e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-3-yl 3,4,5-trimethoxybenzoate

C30H37NO11 (587.2366492)


   

3α-(3,4,5-trimethoxy-cinnamoyloxy)-7β-(3,4,5-trimethoxybenzoyloxy)-6α-hydroxy-tropane

NA

C30H37NO11 (587.2366492)


{"Ingredient_id": "HBIN007915","Ingredient_name": "3\u03b1-(3,4,5-trimethoxy-cinnamoyloxy)-7\u03b2-(3,4,5-trimethoxybenzoyloxy)-6\u03b1-hydroxy-tropane","Alias": "NA","Ingredient_formula": "C30H37NO11","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21887","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

6-hydroxy-8-methyl-7-{[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-3-yl 3,4,5-trimethoxybenzoate

6-hydroxy-8-methyl-7-{[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-3-yl 3,4,5-trimethoxybenzoate

C30H37NO11 (587.2366492)


   

(1s,3s,5s,7r,10r,12s,14r,15s,18r,19r,23r)-10,22-dihydroxy-7,18-dimethyl-19-(5-oxo-2h-furan-3-yl)-5'h-4,6,11-trioxaspiro[hexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosane-9,2'-[1,3]thiazole]-14-carbaldehyde

(1s,3s,5s,7r,10r,12s,14r,15s,18r,19r,23r)-10,22-dihydroxy-7,18-dimethyl-19-(5-oxo-2h-furan-3-yl)-5'h-4,6,11-trioxaspiro[hexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosane-9,2'-[1,3]thiazole]-14-carbaldehyde

C31H41NO8S (587.2552746000001)


   

14,26-dihydroxy-2-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]-9,9,16,16-tetramethyl-8-oxa-14,23,25-triazaheptacyclo[17.5.2.0¹,¹⁷.0³,¹⁵.0⁴,¹³.0⁷,¹².0¹⁹,²³]hexacosa-3(15),4,6,10,12,25-hexaen-24-one

14,26-dihydroxy-2-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]-9,9,16,16-tetramethyl-8-oxa-14,23,25-triazaheptacyclo[17.5.2.0¹,¹⁷.0³,¹⁵.0⁴,¹³.0⁷,¹².0¹⁹,²³]hexacosa-3(15),4,6,10,12,25-hexaen-24-one

C32H33N3O8 (587.2267538000001)


   

20-[2-ethoxy-2-(2,4,5-trimethoxyphenyl)ethyl]-17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaene

20-[2-ethoxy-2-(2,4,5-trimethoxyphenyl)ethyl]-17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaene

C34H37NO8 (587.2519042)


   

4-{[(5s)-8-{[(2s,4r,5r,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,5-dihydroxy-3-methyl-7,12-dioxo-5h-6-azatetraphen-6-yl]methyl}benzoic acid

4-{[(5s)-8-{[(2s,4r,5r,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,5-dihydroxy-3-methyl-7,12-dioxo-5h-6-azatetraphen-6-yl]methyl}benzoic acid

C32H29NO10 (587.1791374000001)


   

(20r)-20-[(2s)-2-ethoxy-2-(2,4,5-trimethoxyphenyl)ethyl]-17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaene

(20r)-20-[(2s)-2-ethoxy-2-(2,4,5-trimethoxyphenyl)ethyl]-17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaene

C34H37NO8 (587.2519042)


   

7-hydroxy-8-methyl-3-{[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-6-yl 3,4,5-trimethoxybenzoate

7-hydroxy-8-methyl-3-{[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-6-yl 3,4,5-trimethoxybenzoate

C30H37NO11 (587.2366492)


   

(1r,2s,17s,19s)-14,26-dihydroxy-2-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]-9,9,16,16-tetramethyl-8-oxa-14,23,25-triazaheptacyclo[17.5.2.0¹,¹⁷.0³,¹⁵.0⁴,¹³.0⁷,¹².0¹⁹,²³]hexacosa-3(15),4,6,10,12,25-hexaen-24-one

(1r,2s,17s,19s)-14,26-dihydroxy-2-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]-9,9,16,16-tetramethyl-8-oxa-14,23,25-triazaheptacyclo[17.5.2.0¹,¹⁷.0³,¹⁵.0⁴,¹³.0⁷,¹².0¹⁹,²³]hexacosa-3(15),4,6,10,12,25-hexaen-24-one

C32H33N3O8 (587.2267538000001)


   

(1s,3s,5r,6r,7r)-7-hydroxy-8-methyl-3-{[(2e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-6-yl 3,4,5-trimethoxybenzoate

(1s,3s,5r,6r,7r)-7-hydroxy-8-methyl-3-{[(2e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-6-yl 3,4,5-trimethoxybenzoate

C30H37NO11 (587.2366492)


   

6-hydroxy-8-methyl-7-{[(2e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-3-yl 3,4,5-trimethoxybenzoate

6-hydroxy-8-methyl-7-{[(2e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-3-yl 3,4,5-trimethoxybenzoate

C30H37NO11 (587.2366492)


   

(1s,4s,9s,10s,25s,26r)-4,22-dihydroxy-7-(hydroxymethyl)-17,17,24,24-tetramethyl-8,16-dioxa-3,22,28-triazanonacyclo[23.6.1.0¹,²⁸.0³,²⁶.0⁴,⁹.0¹⁰,²⁶.0¹¹,²³.0¹²,²¹.0¹⁵,²⁰]dotriaconta-6,11(23),12,14,18,20-hexaene-2,5,27-trione

(1s,4s,9s,10s,25s,26r)-4,22-dihydroxy-7-(hydroxymethyl)-17,17,24,24-tetramethyl-8,16-dioxa-3,22,28-triazanonacyclo[23.6.1.0¹,²⁸.0³,²⁶.0⁴,⁹.0¹⁰,²⁶.0¹¹,²³.0¹²,²¹.0¹⁵,²⁰]dotriaconta-6,11(23),12,14,18,20-hexaene-2,5,27-trione

C32H33N3O8 (587.2267538000001)


   

(1s,3r,5s,7r,9r,10r,12r,14r,15s,18r,19r,22s,23r)-10,22-dihydroxy-7,18-dimethyl-19-(5-oxo-2h-furan-3-yl)-5'h-4,6,11-trioxaspiro[hexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosane-9,2'-[1,3]thiazole]-14-carbaldehyde

(1s,3r,5s,7r,9r,10r,12r,14r,15s,18r,19r,22s,23r)-10,22-dihydroxy-7,18-dimethyl-19-(5-oxo-2h-furan-3-yl)-5'h-4,6,11-trioxaspiro[hexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosane-9,2'-[1,3]thiazole]-14-carbaldehyde

C31H41NO8S (587.2552746000001)


   

(1s,3r,5s,7r,9s,10r,12r,14r,15s,18r,19s,22s,23r)-10,22-dihydroxy-7,18-dimethyl-19-(5-oxo-2h-furan-3-yl)-5'h-4,6,11-trioxaspiro[hexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosane-9,2'-[1,3]thiazole]-14-carbaldehyde

(1s,3r,5s,7r,9s,10r,12r,14r,15s,18r,19s,22s,23r)-10,22-dihydroxy-7,18-dimethyl-19-(5-oxo-2h-furan-3-yl)-5'h-4,6,11-trioxaspiro[hexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosane-9,2'-[1,3]thiazole]-14-carbaldehyde

C31H41NO8S (587.2552746000001)


   

(7s,8r,9r,10r)-7-{[(2s,4s,5r,6r)-4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]oxy}-4,6,9,10-tetrahydroxy-1,8-dimethoxy-9-methyl-8,10-dihydro-7h-tetracene-5,12-dione

(7s,8r,9r,10r)-7-{[(2s,4s,5r,6r)-4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]oxy}-4,6,9,10-tetrahydroxy-1,8-dimethoxy-9-methyl-8,10-dihydro-7h-tetracene-5,12-dione

C30H37NO11 (587.2366492)


   

10,22-dihydroxy-7,18-dimethyl-19-(5-oxo-2h-furan-3-yl)-5'h-4,6,11-trioxaspiro[hexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosane-9,2'-[1,3]thiazole]-14-carbaldehyde

10,22-dihydroxy-7,18-dimethyl-19-(5-oxo-2h-furan-3-yl)-5'h-4,6,11-trioxaspiro[hexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosane-9,2'-[1,3]thiazole]-14-carbaldehyde

C31H41NO8S (587.2552746000001)


   

(1s,3s,5r,6r,7s)-7-hydroxy-8-methyl-3-{[(2e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-6-yl 3,4,5-trimethoxybenzoate

(1s,3s,5r,6r,7s)-7-hydroxy-8-methyl-3-{[(2e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-6-yl 3,4,5-trimethoxybenzoate

C30H37NO11 (587.2366492)


   

(1s,3r,5r,6r,7s)-7-hydroxy-8-methyl-3-{[(2e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-6-yl 3,4,5-trimethoxybenzoate

(1s,3r,5r,6r,7s)-7-hydroxy-8-methyl-3-{[(2e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-6-yl 3,4,5-trimethoxybenzoate

C30H37NO11 (587.2366492)


   

(1r,3s,5s,6r,7s)-6-hydroxy-8-methyl-7-{[(2e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-3-yl 3,4,5-trimethoxybenzoate

(1r,3s,5s,6r,7s)-6-hydroxy-8-methyl-7-{[(2e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-3-yl 3,4,5-trimethoxybenzoate

C30H37NO11 (587.2366492)


   

(1s,3r,5s,7r,9s,10r,12r,14r,15r,18r,19r,22s,23r)-10,22-dihydroxy-7,18-dimethyl-19-(5-oxo-2h-furan-3-yl)-5'h-4,6,11-trioxaspiro[hexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosane-9,2'-[1,3]thiazole]-14-carbaldehyde

(1s,3r,5s,7r,9s,10r,12r,14r,15r,18r,19r,22s,23r)-10,22-dihydroxy-7,18-dimethyl-19-(5-oxo-2h-furan-3-yl)-5'h-4,6,11-trioxaspiro[hexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosane-9,2'-[1,3]thiazole]-14-carbaldehyde

C31H41NO8S (587.2552746000001)


   

4,22-dihydroxy-7-(hydroxymethyl)-17,17,24,24-tetramethyl-8,16-dioxa-3,22,28-triazanonacyclo[23.6.1.0¹,²⁸.0³,²⁶.0⁴,⁹.0¹⁰,²⁶.0¹¹,²³.0¹²,²¹.0¹⁵,²⁰]dotriaconta-6,11(23),12,14,18,20-hexaene-2,5,27-trione

4,22-dihydroxy-7-(hydroxymethyl)-17,17,24,24-tetramethyl-8,16-dioxa-3,22,28-triazanonacyclo[23.6.1.0¹,²⁸.0³,²⁶.0⁴,⁹.0¹⁰,²⁶.0¹¹,²³.0¹²,²¹.0¹⁵,²⁰]dotriaconta-6,11(23),12,14,18,20-hexaene-2,5,27-trione

C32H33N3O8 (587.2267538000001)