EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:122004 - 2-[[cyclohexyl(oxo)methyl]amino]acetic acid [2-(4-cyanoanilino)-2-oxoethyl] ester

ChEBI IDCHEBI:122004
ChEBI Name2-[[cyclohexyl(oxo)methyl]amino]acetic acid [2-(4-cyanoanilino)-2-oxoethyl] ester
Stars
DownloadsMolfile
FormulaC18H21N3O4
Net Charge0
Average Mass343.383
Monoisotopic Mass343.15321
SMILESN#Cc1ccc(NC(=O)COC(=O)CNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C18H21N3O4/c19-10-13-6-8-15(9-7-13)21-16(22)12-25-17(23)11-20-18(24)14-4-2-1-3-5-14/h6-9,14H,1-5,11-12H2,(H,20,24)(H,21,22)
InChIKeyFNDKZAFZEOXKPT-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-[[cyclohexyl(oxo)methyl]amino]acetic acid [2-(4-cyanoanilino)-2-oxoethyl] ester (CHEBI:122004) is a depsipeptide (CHEBI:23643)
Manual XrefsDatabases
LSM-33447LINCS