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CHEBI:122042 - (2S)-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid [2-(2,4-dimethoxyanilino)-2-oxoethyl] ester

ChEBI IDCHEBI:122042
ChEBI Name(2S)-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid [2-(2,4-dimethoxyanilino)-2-oxoethyl] ester
Stars
DownloadsMolfile
FormulaC20H22N2O6S
Net Charge0
Average Mass418.471
Monoisotopic Mass418.11986
SMILESCOc1ccc(NC(=O)COC(=O)[C@@H]2CCCN2C(=O)c2cccs2)c(OC)c1
InChIInChI=1S/C20H22N2O6S/c1-26-13-7-8-14(16(11-13)27-2)21-18(23)12-28-20(25)15-5-3-9-22(15)19(24)17-6-4-10-29-17/h4,6-8,10-11,15H,3,5,9,12H2,1-2H3,(H,21,23)/t15-/m0/s1
InChIKeyYVBGZNLZDQAXIH-HNNXBMFYSA-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)
(2S)-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid [2-(2,4-dimethoxyanilino)-2-oxoethyl] ester (CHEBI:122042) is a depsipeptide (CHEBI:23643)
Manual XrefsDatabases
LSM-33485LINCS