Exact Mass: 549.2084

Exact Mass Matches: 549.2084

Found 125 metabolites which its exact mass value is equals to given mass value 549.2084, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Jadomycin B

(1S)-1-[(2S)-butan-2-yl]-7-hydroxy-5-methyl-2,8,13-trioxo-1,2,8,13-tetrahydro-3aH-benzo[b][1,3]oxazolo[3,2-f]phenanthridin-12-yl 2,6-dideoxy-alpha-L-ribo-hexopyranoside

C30H31NO9 (549.1999)

A jadomycin that is jadomycin A in which the phenolic hydroxy group at position 12 has been converted to the corresponding 2,6-dideoxy-alpha-L-ribo-hexopyranoside, isolated from Streptomyces venezuelae. It exists as a diastereoisomeric mixture consisting of both 3aS and 3aR isomers.

Ubrogepant

1,2,5,7-Tetrahydro-N-((3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-3-piperidinyl)-2-oxo-, (6S)- spiro(6H-cyclopenta(b)pyridine-6,3-(3H)pyrrolo(2,3-b)pyridine)-3-carboxamide

C29H26F3N5O3 (549.1988)

N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CD - Calcitonin gene-related peptide (cgrp) antagonists C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent

Cys His Gln Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanoic acid

C23H31N7O7S (549.2006)

Cys His Tyr Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanoic acid

C23H31N7O7S (549.2006)

Cys Asn Gln Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carbamoylpropanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanoic acid

C23H31N7O7S (549.2006)

Cys Asn Trp Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoic acid

C23H31N7O7S (549.2006)

Cys Gln His Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C23H31N7O7S (549.2006)

Cys Gln Asn Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-carbamoylbutanamido]-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C23H31N7O7S (549.2006)

Cys Gln Trp Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanoic acid

C23H31N7O7S (549.2006)

Cys Gln Tyr His

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid

C23H31N7O7S (549.2006)

Cys Trp Asn Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]-4-carbamoylbutanoic acid

C23H31N7O7S (549.2006)

Cys Trp Gln Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-3-carbamoylpropanoic acid

C23H31N7O7S (549.2006)

Cys Tyr His Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanoic acid

C23H31N7O7S (549.2006)

Cys Tyr Gln His

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanoic acid

C23H31N7O7S (549.2006)

Asp Glu Thr Trp

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

C24H31N5O10 (549.2071)

Asp Glu Trp Thr

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

C24H31N5O10 (549.2071)

Asp Thr Glu Trp

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

C24H31N5O10 (549.2071)

Asp Thr Trp Glu

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

C24H31N5O10 (549.2071)

Asp Trp Glu Thr

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

C24H31N5O10 (549.2071)

Asp Trp Thr Glu

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

C24H31N5O10 (549.2071)

Glu Asp Thr Trp

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

C24H31N5O10 (549.2071)

Glu Asp Trp Thr

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

C24H31N5O10 (549.2071)

Glu Glu Ser Trp

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

C24H31N5O10 (549.2071)

Glu Glu Trp Ser

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

C24H31N5O10 (549.2071)

Glu Ser Glu Trp

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

C24H31N5O10 (549.2071)

Glu Ser Trp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid

C24H31N5O10 (549.2071)

Glu Thr Asp Trp

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

C24H31N5O10 (549.2071)

Glu Thr Trp Asp

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-4-carboxybutanamido]-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

C24H31N5O10 (549.2071)

Glu Trp Asp Thr

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

C24H31N5O10 (549.2071)

Glu Trp Glu Ser

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

C24H31N5O10 (549.2071)

Glu Trp Ser Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]pentanedioic acid

C24H31N5O10 (549.2071)

Glu Trp Thr Asp

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]butanedioic acid

C24H31N5O10 (549.2071)

His Cys Gln Tyr

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanoic acid

C23H31N7O7S (549.2006)

His Cys Tyr Gln

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanoic acid

C23H31N7O7S (549.2006)

His Gln Cys Tyr

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C23H31N7O7S (549.2006)

His Gln Tyr Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoic acid

C23H31N7O7S (549.2006)

His Tyr Cys Gln

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-4-carbamoylbutanoic acid

C23H31N7O7S (549.2006)

His Tyr Gln Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanamido]-3-sulfanylpropanoic acid

C23H31N7O7S (549.2006)

Asn Cys Gln Trp

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-sulfanylpropanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanoic acid

C23H31N7O7S (549.2006)

Asn Cys Trp Gln

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoic acid

C23H31N7O7S (549.2006)

Asn Gln Cys Trp

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-carbamoylbutanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C23H31N7O7S (549.2006)

Asn Gln Trp Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanoic acid

C23H31N7O7S (549.2006)

Asn Trp Cys Gln

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-4-carbamoylbutanoic acid

C23H31N7O7S (549.2006)

Asn Trp Gln Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-3-sulfanylpropanoic acid

C23H31N7O7S (549.2006)

Gln Cys His Tyr

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C23H31N7O7S (549.2006)

Gln Cys Asn Trp

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C23H31N7O7S (549.2006)

Gln Cys Trp Asn

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanoic acid

C23H31N7O7S (549.2006)

Gln Cys Tyr His

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid

C23H31N7O7S (549.2006)

Gln His Cys Tyr

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C23H31N7O7S (549.2006)

Gln His Tyr Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoic acid

C23H31N7O7S (549.2006)

Gln Asn Cys Trp

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-carbamoylpropanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C23H31N7O7S (549.2006)

Gln Asn Trp Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanoic acid

C23H31N7O7S (549.2006)

Gln Trp Cys Asn

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-3-carbamoylpropanoic acid

C23H31N7O7S (549.2006)

Gln Trp Asn Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]-3-sulfanylpropanoic acid

C23H31N7O7S (549.2006)

Gln Tyr Cys His

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C23H31N7O7S (549.2006)

Gln Tyr His Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanoic acid

C23H31N7O7S (549.2006)

Ser Glu Glu Trp

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

C24H31N5O10 (549.2071)

Ser Glu Trp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid

C24H31N5O10 (549.2071)

Ser Trp Glu Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]pentanedioic acid

C24H31N5O10 (549.2071)

Thr Asp Glu Trp

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

C24H31N5O10 (549.2071)

Thr Asp Trp Glu

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

C24H31N5O10 (549.2071)

Thr Glu Asp Trp

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

C24H31N5O10 (549.2071)

Thr Glu Trp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

C24H31N5O10 (549.2071)

Thr Trp Asp Glu

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

C24H31N5O10 (549.2071)

Thr Trp Glu Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]butanedioic acid

C24H31N5O10 (549.2071)

Trp Cys Asn Gln

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-3-carbamoylpropanamido]-4-carbamoylbutanoic acid

C23H31N7O7S (549.2006)

Trp Cys Gln Asn

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-4-carbamoylbutanamido]-3-carbamoylpropanoic acid

C23H31N7O7S (549.2006)

Trp Asp Glu Thr

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

C24H31N5O10 (549.2071)

Trp Asp Thr Glu

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

C24H31N5O10 (549.2071)

Trp Glu Asp Thr

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

C24H31N5O10 (549.2071)

Trp Glu Glu Ser

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

C24H31N5O10 (549.2071)

Trp Glu Ser Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-3-hydroxypropanamido]pentanedioic acid

C24H31N5O10 (549.2071)

Trp Glu Thr Asp

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-3-hydroxybutanamido]butanedioic acid

C24H31N5O10 (549.2071)

Trp Asn Cys Gln

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]-3-sulfanylpropanamido]-4-carbamoylbutanoic acid

C23H31N7O7S (549.2006)

Trp Asn Gln Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]-4-carbamoylbutanamido]-3-sulfanylpropanoic acid

C23H31N7O7S (549.2006)

Trp Gln Cys Asn

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-3-sulfanylpropanamido]-3-carbamoylpropanoic acid

C23H31N7O7S (549.2006)

Trp Gln Asn Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-3-carbamoylpropanamido]-3-sulfanylpropanoic acid

C23H31N7O7S (549.2006)

Trp Ser Glu Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]-4-carboxybutanamido]pentanedioic acid

C24H31N5O10 (549.2071)

Trp Thr Asp Glu

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

C24H31N5O10 (549.2071)

Trp Thr Glu Asp

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]-4-carboxybutanamido]butanedioic acid

C24H31N5O10 (549.2071)

Tyr Cys His Gln

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanoic acid

C23H31N7O7S (549.2006)

Tyr Cys Gln His

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanoic acid

C23H31N7O7S (549.2006)

Tyr His Cys Gln

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-4-carbamoylbutanoic acid

C23H31N7O7S (549.2006)

Tyr His Gln Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanamido]-3-sulfanylpropanoic acid

C23H31N7O7S (549.2006)

Tyr Gln Cys His

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C23H31N7O7S (549.2006)

Tyr Gln His Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanoic acid

C23H31N7O7S (549.2006)

Rotamicillin

C28H31N5O5S (549.2046)

(2R,4R)-1-[(2S)-5-[[Imino(nitroamino)methyl]amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylic acid

C23H31N7O7S (549.2006)

N-({4-[(1R)-4-[(2R,4S,5S)-2,4-diamino-6-oxohexahydropyrimidin-5-yl]-1-(2,2,2-trifluoro-1,1-dihydroxyethyl)butyl]phenyl}carbonyl)-L-glutamic acid

C22H30F3N5O8 (549.2046)

Ubrogepant

C29H26F3N5O3 (549.1988)

N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CD - Calcitonin gene-related peptide (cgrp) antagonists C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent

(1S)-1-[(2S)-butan-2-yl]-7-hydroxy-5-methyl-2,8,13-trioxo-1,2,8,13-tetrahydro-3aH-benzo[b][1,3]oxazolo[3,2-f]phenanthridin-12-yl 2,6-dideoxy-alpha-L-ribo-hexopyranoside

C30H31NO9 (549.1999)

(3aR)-jadomycin B

C30H31NO9 (549.1999)

Jadomycin DNL

C30H31NO9 (549.1999)

A natural product found in Streptomyces venezuelae ISP5230.

CID 168511237

C22H35N3O13 (549.217)

7-Methyl-1-phenyl-4-trimethylsilyl-7-azobicyclo(2,2,1)heptane-N,N-diphenyl-2,3,5,6-tetracarboxodiimido

C32H31N3O4Si (549.2084)

ST 25:7;O6;Tau

C27H35NO9S (549.2032)

ERK1/2 inhibitor 1

C29H32ClN5O4 (549.2143)

ERK1/2 inhibitor 1 is a potent, orally bioavailable ERK1/2 inhibitor, showing 60\% inhibition at 1 nM and an IC50 of 3.0 nM against ERK1 and ERK2, respectively[1].

[(1r,2s,10r,12r,13s)-12-cyano-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 propanoate

C29H31N3O8 (549.2111)

(3s)-19-{[(2s,4r,5r,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-11-hydroxy-9-methyl-3-(sec-butyl)-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)-19-{[(2s,4r,5r,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-11-hydroxy-9-methyl-3-(sec-butyl)-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

C30H31NO9 (549.1999)

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

C25H32ClN5O7 (549.199)

(3r)-3-butyl-19-{[(2s,5r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-11-hydroxy-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

C30H31NO9 (549.1999)

astin E

astin e

C25H32ClN5O7 (549.199)

{"Ingredient_id": "HBIN017205","Ingredient_name": "astin E","Alias": "astin e","Ingredient_formula": "C25H32ClN5O7","Ingredient_Smile": "CCC1C(=O)NC(C(=O)NC(CC(=O)NC(C(=O)N2C(CC=C2Cl)C(=O)N1)C(C)O)C3=CC=CC=C3)CO","Ingredient_weight": "550","OB_score": "26.33722415","CAS_id": "153125-16-7","SymMap_id": "SMIT11508;SMIT14404","TCMID_id": "1933","TCMSP_id": "MOL010457","TCM_ID_id": "6547","PubChem_id": "NA","DrugBank_id": "NA"}

astin h

C25H32ClN5O7 (549.199)

{"Ingredient_id": "HBIN017206","Ingredient_name": "astin h","Alias": "NA","Ingredient_formula": "C25H32ClN5O7","Ingredient_Smile": "NA","Ingredient_weight": "550","OB_score": "NA","CAS_id": "159396-51-7","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6546","PubChem_id": "NA","DrugBank_id": "NA"}

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

C25H32ClN5O7 (549.199)

n-[(2s,3r,4s,5r,6r)-2-{5-ethenyl-15-hydroxy-3,17-dimethoxy-8-oxo-9-oxatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-1(10),2(7),3,5,11(16),12,14,17-octaen-12-yl}-3,5-dihydroxy-6-methyloxan-4-yl]-n-methylacetamide

n-[(2s,3r,4s,5r,6r)-2-{5-ethenyl-15-hydroxy-3,17-dimethoxy-8-oxo-9-oxatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-1(10),2(7),3,5,11(16),12,14,17-octaen-12-yl}-3,5-dihydroxy-6-methyloxan-4-yl]-n-methylacetamide

C30H31NO9 (549.1999)

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

C25H32ClN5O7 (549.199)

n-(2-{5-ethenyl-15-hydroxy-3,17-dimethoxy-8-oxo-9-oxatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-1(10),2(7),3,5,11(16),12,14,17-octaen-12-yl}-3,5-dihydroxy-6-methyloxan-4-yl)-n-methylacetamide

C30H31NO9 (549.1999)

(2s,3r,4r,5s,6r)-3-(acetyloxy)-2-hydroxy-6-(3-hydroxy-4-methoxyphenyl)-10,12-dimethoxy-n-methyl-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-triene-4-carboximidic acid

C30H31NO9 (549.1999)

(3s,6s)-3-[(2s)-butan-2-yl]-19-{[(2s,4r,5r,6r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-11-hydroxy-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)-3-[(2s)-butan-2-yl]-19-{[(2s,4r,5r,6r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-11-hydroxy-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

C30H31NO9 (549.1999)

(2s,3s,4s,5s,6r)-3-(acetyloxy)-2-hydroxy-6-(3-hydroxy-4-methoxyphenyl)-10,12-dimethoxy-n-methyl-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-triene-4-carboximidic acid

C30H31NO9 (549.1999)

19-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-11-hydroxy-9-methyl-3-(sec-butyl)-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

C30H31NO9 (549.1999)

(3s,6s)-3-[(2s)-butan-2-yl]-19-{[(2s,4r,5r,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-11-hydroxy-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)-3-[(2s)-butan-2-yl]-19-{[(2s,4r,5r,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-11-hydroxy-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

C30H31NO9 (549.1999)

3-(acetyloxy)-2-hydroxy-6-(3-hydroxy-4-methoxyphenyl)-10,12-dimethoxy-n-methyl-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-triene-4-carboximidic acid

C30H31NO9 (549.1999)

(3s)-3-[(2s)-butan-2-yl]-19-{[(2s,4r,5r,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-11-hydroxy-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)-3-[(2s)-butan-2-yl]-19-{[(2s,4r,5r,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-11-hydroxy-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

C30H31NO9 (549.1999)

14-(3,4-dimethoxyphenyl)-10,11-dihydroxy-8-methoxy-n,n-dimethyl-13-phenyl-4,6,15-trioxatetracyclo[7.6.0.0³,⁷.0¹⁰,¹⁴]pentadeca-1,3(7),8-triene-12-carboxamide

C30H31NO9 (549.1999)

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

C25H32ClN5O7 (549.199)

n-[(2s,3r,4s,5r,6s)-2-{5-ethenyl-15-hydroxy-3,17-dimethoxy-8-oxo-9-oxatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-1(10),2(7),3,5,11(16),12,14,17-octaen-12-yl}-3,5-dihydroxy-6-methyloxan-4-yl]-n-methylacetamide

n-[(2s,3r,4s,5r,6s)-2-{5-ethenyl-15-hydroxy-3,17-dimethoxy-8-oxo-9-oxatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-1(10),2(7),3,5,11(16),12,14,17-octaen-12-yl}-3,5-dihydroxy-6-methyloxan-4-yl]-n-methylacetamide

C30H31NO9 (549.1999)

(10s,11r,12r,13s,14r)-14-(3,4-dimethoxyphenyl)-10,11-dihydroxy-8-methoxy-n,n-dimethyl-13-phenyl-4,6,15-trioxatetracyclo[7.6.0.0³,⁷.0¹⁰,¹⁴]pentadeca-1,3(7),8-triene-12-carboxamide

C30H31NO9 (549.1999)

{12-cyano-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 propanoate

C29H31N3O8 (549.2111)