CHEBI:8713 - quinapril

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ChEBI Name quinapril
ChEBI ID CHEBI:8713
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C25H30N2O5
Net Charge 0
Average Mass 438.51618
Monoisotopic Mass 438.215
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)/t17-,21-,22-/m0/s1
InChIKey JSDRRTOADPPCHY-HSQYWUDLSA-N
SMILES CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
An EC 3.4.15.* (peptidyl-dipeptidase) inhibitor that interferes with the action of peptidyl-dipeptidase A (EC 3.4.15.1).
Application(s): EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
An EC 3.4.15.* (peptidyl-dipeptidase) inhibitor that interferes with the action of peptidyl-dipeptidase A (EC 3.4.15.1).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing quinapril (CHEBI:8713) has role EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor (CHEBI:35457)
quinapril (CHEBI:8713) is a dicarboxylic acid monoester (CHEBI:36244)
quinapril (CHEBI:8713) is a ethyl ester (CHEBI:23990)
quinapril (CHEBI:8713) is a isoquinolines (CHEBI:24922)
Incoming quinapril hydrochloride (CHEBI:8714) has part quinapril (CHEBI:8713)
IUPAC Name
(3S)-2-{(2S)-2-[(1S)-1-ethoxycarbonyl-3-phenylpropylamino]propanoyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
INN Source
quinapril ChemIDplus
Synonyms Sources
Quinapril KEGG COMPOUND
Quinaprilum ChemIDplus
Database Links Databases
2340 DrugCentral
C07398 KEGG COMPOUND
D03752 KEGG DRUG
DB00881 DrugBank
LSM-3620 LINCS
Quinapril Wikipedia
View more database links
Registry Numbers Types Sources
85441-61-8 CAS Registry Number KEGG COMPOUND
85441-61-8 CAS Registry Number ChemIDplus
Last Modified
22 February 2017