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

Properties

Image

Occurences in reactions

MNX_ID

MNXM31858

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₅H₂₈N₂O₇S

charge

mass

500.16172

reference

chebi:431

InChIKey

VTZRKUFAIWPNRI-QOLSWGAYSA-N

InChI

InChI=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

SMILES

CC(=O)SCC1C(c2ccc3c(c2)OCO3)C[C@@H](C(=O)N[C@@H](C)C(=O)OCc2ccccc2)N1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:431 chebi:431 kegg.compound:C01316 keggC:C01316	(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl]-(S)-alanine benzyl ester
seed.compound:cpd00964 seedM:cpd00964	(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(acetylthio)methyl-1- oxoprolyl]-(S)-alanine benzyl ester (S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl]-(S)-alanine benzyl ester
keggC:M_C01316 seedM:M_cpd00964	secondary/obsolete/fantasy identifier