The Boc-3-(4-Biphenylyl)-D-alanine, with the CAS registry number 128779-47-5, has the systematic name of (2R)-3-biphenyl-4-yl-2-[(tert-butoxycarbonyl)amino]propanoic acid (non-preferred name). It belongs to the following product categories: Amino Acids; Phenylalanine analogs and other aromatic alpha amino acids; Biphenyl & Diphenyl ether; Amino Acid Derivatives; a-amino. And the molecular formula of the chemical is C₂₀H₂₃NO₄.

The characteristics of Boc-3-(4-Biphenylyl)-D-alanine are as followings: (1)ACD/LogP: 4.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.65; (4)ACD/LogD (pH 7.4): 1.17; (5)ACD/BCF (pH 5.5): 19.24; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 74.41; (8)ACD/KOC (pH 7.4): 2.49; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 95.04 cm³; (15)Molar Volume: 293.9 cm³; (16)Polarizability: 37.68×10^-24cm³; (17)Surface Tension: 45.3 dyne/cm; (18)Density: 1.161 g/cm³; (19)Flash Point: 273.2 °C; (20)Enthalpy of Vaporization: 84.52 kJ/mol; (21)Boiling Point: 528.2 °C at 760 mmHg; (22)Vapour Pressure: 5.5E-12 mmHg at 25°C.  
   
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@@H](C(=O)O)Cc1ccc(cc1)c2ccccc2
(2)InChI: InChI=1/C20H23NO4/c1-20(2,3)25-19(24)21-17(18(22)23)13-14-9-11-16(12-10-14)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3,(H,21,24)(H,22,23)/t17-/m1/s1
(3)InChIKey: NBVVKAUSAGHTSU-QGZVFWFLBV