CHEBI:88201 - benazepril(1+)

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ChEBI Name benazepril(1+)
ChEBI ID CHEBI:88201
Definition An ammonium ion resulting from the protonation of the secondary amino group of benazepril.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C24H29N2O5
Net Charge +1
Average Mass 425.498
Monoisotopic Mass 425.20710
InChI InChI=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
InChIKey XPCFTKFZXHTYIP-PMACEKPBSA-O
SMILES C1C=2C(N(C([C@](C1)([NH2+][C@H](C(=O)OCC)CCC3=CC=CC=C3)[H])=O)CC(O)=O)=CC=CC2
ChEBI Ontology
Outgoing benazepril(1+) (CHEBI:88201) is a ammonium ion derivative (CHEBI:35274)
benazepril(1+) (CHEBI:88201) is conjugate acid of benazepril (CHEBI:3011)
Incoming 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
Last Modified
13 October 2015