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CHEBI:431 - (S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl]-(S)-alanine benzyl ester

Default Structure
ChEBI IDCHEBI:431
ChEBI Name(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl]-(S)-alanine benzyl ester
Stars
Last Modified3 December 2015
DownloadsMolfile
FormulaC25H28N2O7S
Net Charge0
Average Mass500.573
Monoisotopic Mass500.16172
SMILESCC(=O)SCC1C(c2ccc3c(c2)OCO3)C[C@@H](C(=O)N[C@@H](C)C(=O)OCc2ccccc2)N1O
InChIInChI=1S/C25H28N2O7S/c1-15(25(30)32-12-17-6-4-3-5-7-17)26-24(29)20-11-19(21(27(20)31)13-35-16(2)28)18-8-9-22-23(10-18)34-14-33-22/h3-10,15,19-21,31H,11-14H2,1-2H3,(H,26,29)/t15-,19?,20-,21?/m0/s1
InChIKeyVTZRKUFAIWPNRI-QOLSWGAYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl]-(S)-alanine benzyl ester (CHEBI:431) is a benzyl ester (CHEBI:90628)
(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl]-(S)-alanine benzyl ester (CHEBI:431) is a peptide (CHEBI:16670)
Synonym  Source
(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl]-(S)-alanine benzyl esterKEGG COMPOUND
Manual XrefsDatabases
C01316KEGG COMPOUND