Imidapril

The Imidapril, with the CAS registry number 89371-37-9, is also known as 4-Imidazolidinecarboxylic acid, 3-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1-methyl-2-oxo-, (4S)-. It belongs to the product categories of Chiral Reagents; Intermediates & Fine Chemicals; Pharmaceuticals. This chemical's molecular formula is C₂₀H₂₇N₃O₆ and molecular weight is 405.44. What's more, its systematic name is (4S)-3-{N-[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]-L-alanyl}-1-methyl-2-oxoimidazolidine-4-carboxylic acid. Its classification codes are: (1)Angiotensin-Converting Enzyme Inhibitors; (2)Antihypertensive Agents; (3)Cardiovascular Agents; (4)Enzyme Inhibitors; (5)Protease Inhibitors. It is used as an inhibitor of angiotensinconverting enzyme, and it is also used to cure hypertension.

Physical properties of Imidapril are: (1)ACD/LogP: 0.55; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 9; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 10; (10)Polar Surface Area: 96.46 Å²; (11)Index of Refraction: 1.558; (12)Molar Refractivity: 103.32 cm³; (13)Molar Volume: 320.1 cm³; (14)Polarizability: 40.96×10^-24cm³; (15)Surface Tension: 54 dyne/cm; (16)Density: 1.266 g/cm³; (17)Flash Point: 302.8 °C; (18)Enthalpy of Vaporization: 90.88 kJ/mol; (19)Boiling Point: 577 °C at 760 mmHg; (20)Vapour Pressure: 3.71E-14 mmHg at 25°C.

Preparation: this chemical can be prepared Friedel-Crafts alkylation reaction between alpha-bromo phenylbutyrate and alanine benzyl ester, then esterificating with N-hydroxy succinimide. This reaction will need reagents K₂CO₃, DMSO.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H]2N(C(=O)[C@@H](N[C@H](C(=O)OCC)CCc1ccccc1)C)C(=O)N(C)C2
(2)Std. InChI: InChI=1S/C20H27N3O6/c1-4-29-19(27)15(11-10-14-8-6-5-7-9-14)21-13(2)17(24)23-16(18(25)26)12-22(3)20(23)28/h5-9,13,15-16,21H,4,10-12H2,1-3H3,(H,25,26)/t13-,15-,16-/m0/s1
(3)Std. InChIKey: KLZWOWYOHUKJIG-BPUTZDHNSA-N