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CHEBI:117234 - 3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester

ChEBI IDCHEBI:117234
ChEBI Name3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester
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DownloadsMolfile
FormulaC20H28N2O5
Net Charge0
Average Mass376.453
Monoisotopic Mass376.19982
SMILESCC(C)C(NC(=O)OCc1ccccc1)C(=O)OCC(=O)N1CCCCC1
InChIInChI=1S/C20H28N2O5/c1-15(2)18(21-20(25)27-13-16-9-5-3-6-10-16)19(24)26-14-17(23)22-11-7-4-8-12-22/h3,5-6,9-10,15,18H,4,7-8,11-14H2,1-2H3,(H,21,25)
InChIKeyNKIKANOKTSXHAQ-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)
3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester (CHEBI:117234) is a depsipeptide (CHEBI:23643)
Manual XrefsDatabases
LSM-28683LINCS