Compound: Quinaprilat
SMILES: O=C(O)[C@H]1N(C(=O)[C@@H](N[C@H](C(=O)O)CCc2ccccc2)C)Cc3ccccc3C1
InChIKey: FLSLEGPOVLMJMN-YSSFQJQWSA-N
Synonyms: Quinaprilat, 82768-85-2, CI-928, quinaprilate, Quinapril diacid, CI 928, quinaprilatum, 34SSX5LDE5, NSC-759825, DTXSID40868904, CL-928, CHEBI:140296, 3-Isoquinolinecarboxylic acid, 2-(2-((1-carboxy-3-phenylpropyl)amino)-1-oxopropyl)-1,2,3,4-tetrahydro-, (3S-(2(R*(R*)),3R*))-, 3-Isoquinolinecarboxylic acid, 2-((2S)-2-(((1S)-1-carboxy-3-phenylpropyl)amino)-1-oxopropyl)-1,2,3,4-tetrahydro-, (3S)-, (3S)-2-[(2S)-2-[[(2S)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid, (3S)-2-[(2S)-2-{[(1S)-1-carboxy-3-phenylpropyl]amino}propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, (3S)-2-((2S)-2-(((1S)-1-carboxy-3-phenylpropyl)amino)propanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, (3S)-2-((2S)-2-(((2S)-1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino)propanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid, (3S)-2-((S)-N-((S)-1-CARBOXY-3-PHENYLPROPYL)ALANYL)-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXYLIC ACID, (3s)-2-[(s)-n-[(s)-1-carboxy-3-phenylpropyl]alanyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid, RefChem:57156, 2-(2-((1-carboxy-3-phenylpropyl)amino)-1-oxopropyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid, DTXCID30820879, Quinapril EP Impurity C, CI928, (3s)-2-{n-[(1s)-1-carboxy-3-phenylpropyl]-l-alanyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, A1I5A, (3S)-2-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid, Quinapril diacid [MI], Quinaprilat [USAN:INN], 85441-60-7, (S)-2-(((S)-1-Carboxy-3-phenylpropyl)-L-alanyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, UNII-34SSX5LDE5, BRN 5653070, MFCD08060097, (3S)-2-[(2S)-2-[[(1S)-1-Carboxy-3-phenylpropyl]amino]propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid (Quinaprilat), QUINAPRILAT [INN], Quinaprilat (USAN/INN), QUINAPRILAT [USAN], CHEMBL1733, QUINAPRILAT [WHO-DD], SCHEMBL113237, GTPL6352, orb1705267, SCHEMBL29598971, FLSLEGPOVLMJMN-YSSFQJQWSA-N, USP Quinapril Related Compound B, GLXC-15168, HMS3264B04, Pharmakon1600-01505455, BDBM50367258, NSC759825, AKOS040744756, CCG-213212, DB14217, FQ27373, NSC 759825, (3S)-2-[(2S)-2-[[(1S)-1-Carboxy-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic Acid, 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-(2-((1-carboxy-3-phenylpropyl)amino)-1-oxopropyl)-, (3S-(2(R*(R*)),3R*))-, DA-51891, HY-127026, CS-0091681, NS00010363, C21540, D03773, AB01563002_01, Q7272073, BRD-K42317111-001-01-7, QUINAPRIL HYDROCHLORIDE IMPURITY C [EP IMPURITY], (3S)-2-[(2S)-2-[[(1S)-1-carboxy-3-phenyl-propyl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid, (S)-2-(((S)-1-Carboxy-3-phenylpropyl)-L-alanyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylicacid, [3S-[2[R*(R*)],3R*]]-2-[2-[(1-Carboxy-3-phenylpropyl)amino]-1-oxopropyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid, 3-Isoquinolinecarboxylic acid, 2-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-, (3S)-, Quinapril Hydrochloride Imp. C (EP), CI 928, Quinaprilat, 3-Isoquinolinecarboxylic acid, 2-[2-[(1-carboxy-3-phenylpropyl)amino]-1-oxopropyl]-1,2,3,4-tetrahydro-, [3S-[2[R*(R*)],3R*]]-
Theoretical properties:
molecular_formula: C23H26N2O5
molecular_weight: 410.5 g/mol
exact_mass: 410.18417193 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 6
rotatable_bond_count: 8
heavy_atom_count: 30
topological_polar_surface_area: 107 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Quinaprilat is a 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. It has a role as an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor, a vasodilator agent and an antihypertensive agent. It is a tertiary carboxamide, a member of isoquinolines and a dicarboxylic acid.
chebi: A 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.
chembl: QUINAPRILAT is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Quinaprilat is the active metabolite of quinapril.