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CHEBI:141523 - quinapril(1+)

ChEBI IDCHEBI:141523
ChEBI Namequinapril(1+)
Stars
DefinitionAn ammonium ion resulting from the protonation of the secondary amino group of quinapril.
Last Modified1 August 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC25H31N2O5
Net Charge+1
Average Mass439.532
Monoisotopic Mass439.22275
SMILESCCOC(=O)[C@H](CCc1ccccc1)[NH2+][C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O
InChIInChI=1S/C25H30N2O5/c1-3-32-25(31)21(14-13-18-9-5-4-6-10-18)26-17(2)23(28)27-16-20-12-8-7-11-19(20)15-22(27)24(29)30/h4-12,17,21-22,26H,3,13-16H2,1-2H3,(H,29,30)/p+1/t17-,21-,22-/m0/s1
InChIKeyJSDRRTOADPPCHY-HSQYWUDLSA-O
ChEBI Ontology
Outgoing Relation(s)
quinapril(1+) (CHEBI:141523) is a ammonium ion derivative (CHEBI:35274)
quinapril(1+) (CHEBI:141523) is conjugate acid of Phrymarolin I (CHEBI:8173)
Incoming Relation(s)
quinapril hydrochloride (CHEBI:8714) has part quinapril(1+) (CHEBI:141523)
Phrymarolin I (CHEBI:8173) is conjugate base of quinapril(1+) (CHEBI:141523)
IUPAC Name 
(2S)-N-{(2S)-1-[(3S)-3-carboxy-3,4-dihydroisoquinolin-2(1H)-yl]-1-oxopropan-2-yl}-1-ethoxy-1-oxo-4-phenylbutan-2-aminium