CHEBI:141523 - quinapril(1+)

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ChEBI Name quinapril(1+)
ChEBI ID CHEBI:141523
Definition An ammonium ion resulting from the protonation of the secondary amino group of quinapril.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000022061529
Download Molfile XML SDF
Formula C25H31N2O5
Net Charge +1
Average Mass 439.525
Monoisotopic Mass 439.22275
InChI InChI=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
InChIKey JSDRRTOADPPCHY-HSQYWUDLSA-O
SMILES C1C2=C(C[C@H](N1C([C@@H]([NH2+][C@H](C(OCC)=O)CCC=3C=CC=CC3)C)=O)C(O)=O)C=CC=C2
ChEBI Ontology
Outgoing quinapril(1+) (CHEBI:141523) is a ammonium ion derivative (CHEBI:35274)
quinapril(1+) (CHEBI:141523) is conjugate acid of Phrymarolin I (CHEBI:8173)
Incoming 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
Last Modified
01 August 2018