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CHEBI:140296 - quinaprilat

ChEBI IDCHEBI:140296
ChEBI Namequinaprilat
Stars
DefinitionA dicarboxylic acid resulting from the hydrolysis of the ethyl ester group of quinapril to give the corresponding dicarboxylic acid. The active angiotensin-converting enzyme inhibitor (ACE inhibitor) of the prodrug quinapril.
Last Modified1 August 2018
Submittermwilliams
DownloadsMolfile
FormulaC23H26N2O5
Net Charge0
Average Mass410.470
Monoisotopic Mass410.18417
SMILESC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O
InChIInChI=1S/C23H26N2O5/c1-15(24-19(22(27)28)12-11-16-7-3-2-4-8-16)21(26)25-14-18-10-6-5-9-17(18)13-20(25)23(29)30/h2-10,15,19-20,24H,11-14H2,1H3,(H,27,28)(H,29,30)/t15-,19-,20-/m0/s1
InChIKeyFLSLEGPOVLMJMN-YSSFQJQWSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
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).
Applications:
vasodilator agent  A drug used to cause dilation of the blood vessels.
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
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).
ChEBI Ontology
Outgoing Relation(s)
quinaprilat (CHEBI:140296) has role antihypertensive agent (CHEBI:35674)
quinaprilat (CHEBI:140296) has role EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor (CHEBI:35457)
quinaprilat (CHEBI:140296) has role vasodilator agent (CHEBI:35620)
quinaprilat (CHEBI:140296) is a dicarboxylic acid (CHEBI:35692)
quinaprilat (CHEBI:140296) is a isoquinolines (CHEBI:24922)
quinaprilat (CHEBI:140296) is a tertiary carboxamide (CHEBI:140326)
IUPAC Name 
(3S)-2-{N-[(1S)-1-carboxy-3-phenylpropyl]-L-alanyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
INNs  Source
quinaprilatWHO MedNet
quinaprilatChemIDplus
quinaprilateWHO MedNet
quinaprilatumWHO MedNet
Synonyms  Source
CI 928ChemIDplus
CI-928ChemIDplus
CI928ChEBI
CL-928ChEBI
Manual XrefsDatabases
97106ChemSpider
C21540KEGG COMPOUND
D03773KEGG DRUG
HMDB0042005HMDB
QuinaprilatWikipedia
Registry NumbersSources
Reaxys:5653070Reaxys
CAS:82768-85-2ChemIDplus
Citations