EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:88201 - benazepril(1+)

ChEBI IDCHEBI:88201
ChEBI Namebenazepril(1+)
Stars
DefinitionAn ammonium ion resulting from the protonation of the secondary amino group of benazepril.
Last Modified13 October 2015
SubmitterGareth Owen
DownloadsMolfile
FormulaC24H29N2O5
Net Charge+1
Average Mass425.505
Monoisotopic Mass425.20710
SMILES[H][C@]1([NH2+][C@@H](CCc2ccccc2)C(=O)OCC)CCc2ccccc2N(CC(=O)O)C1=O
InChIInChI=1S/C24H28N2O5/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28)/p+1/t19-,20-/m0/s1
InChIKeyXPCFTKFZXHTYIP-PMACEKPBSA-O
ChEBI Ontology
Outgoing Relation(s)
benazepril(1+) (CHEBI:88201) is a ammonium ion derivative (CHEBI:35274)
benazepril(1+) (CHEBI:88201) is conjugate acid of benazepril (CHEBI:3011)
Incoming Relation(s)
benazepril hydrochloride (CHEBI:3012) has part benazepril(1+) (CHEBI:88201)
benazepril (CHEBI:3011) is conjugate base of benazepril(1+) (CHEBI:88201)
IUPAC Name 
(3S)-1-(carboxymethyl)-N-[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-aminium