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CHEBI:120472 - (2S)-2-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-oxo-2-(4-propan-2-ylanilino)ethyl] ester

ChEBI IDCHEBI:120472
ChEBI Name(2S)-2-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-oxo-2-(4-propan-2-ylanilino)ethyl] ester
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DownloadsMolfile
FormulaC25H32N2O6
Net Charge0
Average Mass456.539
Monoisotopic Mass456.22604
SMILESCOc1cc(OC)cc(C(=O)N[C@H](C(=O)OCC(=O)Nc2ccc(C(C)C)cc2)C(C)C)c1
InChIInChI=1S/C25H32N2O6/c1-15(2)17-7-9-19(10-8-17)26-22(28)14-33-25(30)23(16(3)4)27-24(29)18-11-20(31-5)13-21(12-18)32-6/h7-13,15-16,23H,14H2,1-6H3,(H,26,28)(H,27,29)/t23-/m0/s1
InChIKeyNEZVXQGPXYPDSG-QHCPKHFHSA-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)-2-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-oxo-2-(4-propan-2-ylanilino)ethyl] ester (CHEBI:120472) is a depsipeptide (CHEBI:23643)
Manual XrefsDatabases
LSM-31915LINCS