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CHEBI:116850 - 6-[oxo-[2-[oxo-(2-phenylethylamino)methyl]anilino]methyl]-1-cyclohex-3-enecarboxylic acid

ChEBI IDCHEBI:116850
ChEBI Name6-[oxo-[2-[oxo-(2-phenylethylamino)methyl]anilino]methyl]-1-cyclohex-3-enecarboxylic acid
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FormulaC23H24N2O4
Net Charge0
Average Mass392.455
Monoisotopic Mass392.17361
SMILESO=C(NCCc1ccccc1)c1ccccc1NC(=O)C1CC=CCC1C(=O)O
InChIInChI=1S/C23H24N2O4/c26-21(24-15-14-16-8-2-1-3-9-16)19-12-6-7-13-20(19)25-22(27)17-10-4-5-11-18(17)23(28)29/h1-9,12-13,17-18H,10-11,14-15H2,(H,24,26)(H,25,27)(H,28,29)
InChIKeyKWJZSNHRUQYPRV-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
6-[oxo-[2-[oxo-(2-phenylethylamino)methyl]anilino]methyl]-1-cyclohex-3-enecarboxylic acid (CHEBI:116850) is a amidobenzoic acid (CHEBI:48470)
Manual XrefsDatabases
LSM-28300LINCS