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CHEBI:105592 - 2-[(2,3,4-trifluorophenyl)sulfonylamino]acetic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester

ChEBI IDCHEBI:105592
ChEBI Name2-[(2,3,4-trifluorophenyl)sulfonylamino]acetic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester
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DownloadsMolfile
FormulaC18H17F3N2O7S
Net Charge0
Average Mass462.402
Monoisotopic Mass462.07086
SMILESCOc1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(F)c(F)c2F)cc1OC
InChIInChI=1S/C18H17F3N2O7S/c1-28-12-5-3-10(7-13(12)29-2)23-15(24)9-30-16(25)8-22-31(26,27)14-6-4-11(19)17(20)18(14)21/h3-7,22H,8-9H2,1-2H3,(H,23,24)
InChIKeyICBJVIWGIADGFU-UHFFFAOYSA-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)
2-[(2,3,4-trifluorophenyl)sulfonylamino]acetic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester (CHEBI:105592) is a depsipeptide (CHEBI:23643)
Manual XrefsDatabases
LSM-16955LINCS