L-Valine,N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-, methyl ester

The N-[(2'-Cyano-(1,1'-biphenyl)-4-yl)methyl)]valine methyl ester, with the CAS registry number 137863-89-9, is also known as Methyl N-[(2'-cyano-4-biphenylyl)methyl]-L-valinate. It belongs to the product categories of Valsartan; API Intermediates; (Intermediate of Valsartan). This chemical's molecular formula is C₂₀H₂₂N₂O₂ and molecular weight is 322.4009. Its IUPAC name is called methyl N-[(2'-cyanobiphenyl-4-yl)methyl]-L-valinate.

Physical properties of N-[(2'-Cyano-(1,1'-biphenyl)-4-yl)methyl)]valine methyl ester: (1)ACD/LogP: 4.00; (2)ACD/LogD (pH 5.5): 3.3; (3)ACD/LogD (pH 7.4): 3.98; (4)ACD/BCF (pH 5.5): 128.92; (5)ACD/BCF (pH 7.4): 611.73; (6)ACD/KOC (pH 5.5): 714.4; (7)ACD/KOC (pH 7.4): 3389.7; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 7; (11)Index of Refraction: 1.57; (12)Molar Refractivity: 93.89 cm³; (13)Molar Volume: 285.7 cm³; (14)Surface Tension: 48.3 dyne/cm; (15)Density: 1.12 g/cm³; (16)Flash Point: 242.8 °C; (17)Enthalpy of Vaporization: 74.19 kJ/mol; (18)Boiling Point: 477.9 °C at 760 mmHg; (19)Vapour Pressure: 2.69E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)[C@@H](NCc1ccc(cc1)c2ccccc2C#N)C(C)C
(2)InChI: InChI=1/C20H22N2O2/c1-14(2)19(20(23)24-3)22-13-15-8-10-16(11-9-15)18-7-5-4-6-17(18)12-21/h4-11,14,19,22H,13H2,1-3H3/t19-/m0/s1
(3)InChIKey: ZQHINOUCNQKQEV-IBGZPJMEBF