Quinapril
Quinapril Structure
Systematic / IUPAC Name: (3S)-2-{N-[(2S)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]-L-alanyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid
ID: Reference7596
Other Names:
Accupro;
Korec;
(3S)-2-(N-{(1S)-1-[(Ethyloxy)carbonyl]-3-phenylpropyl}-L-alanyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;
(3S)-2-((2S)-2-{[(1S)-1-Ethoxycarbonyl-3-phenyl-propyl]amino}propanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ;
(3S)-2-((2S)-2-{[(2S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-1-oxopropyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
; more
Formula: C25H30N2O5
Class: Therapeutics/Prescription Drugs
Spectral Data
Quinapril mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 109 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 3/21/2018 11:42:39 AM |
Identificators
| 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 |
| InChI Key | JSDRRTOADPPCHY-HSQYWUDLSA-N |
| Canonical SMILES | CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)O |
| CAS | |
| Splash | |
| Other Names |
Accupro; Korec; (3S)-2-(N-{(1S)-1-[(Ethyloxy)carbonyl]-3-phenylpropyl}-L-alanyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid; (3S)-2-((2S)-2-{[(1S)-1-Ethoxycarbonyl-3-phenyl-propyl]amino}propanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ; (3S)-2-((2S)-2-{[(2S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-1-oxopropyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ; (3S)-2-((2S)-2-{[(2S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ; (3S)-2-((2S)-2-{[(2S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid ; (3S)-2-{(2S)-2-[(1S)-1-Ethoxycarbonyl-3-phenylpropylamino]propanoyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid |
In Other Databases
| Wikipedia | Quinapril |
| DrugBank | DB00881 |
| ChemIDPlus | 085441618 |
| PubChem | 54892 |
| ChEMBL | CHEMBL1592 |
| ChEBI | CHEBI:8713 |
| ChemSpider | 49565 |
| KEGG | C07398; D03752 |
| HMDb | HMDB15019 |