FMOC-(R)-3-AMINO-4,4-DIPHENYL-BUTYRIC ACID

The Benzenebutanoic acid, β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-γ-phenyl-, (βR)-, with the CAS registry number 332062-10-9, is also known as Fmoc-(R)-3-Amino-4,4-diphenyl-butyric acid. It belongs to the product categories of 3-Amino-4-phenylbutyric Acid Analogs; 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino. This chemical's molecular formula is C₃₁H₂₇NO₄ and molecular weight is 477.55. What's more, its systematic name is (3R)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4,4-diphenylbutanoic acid.

Physical properties of Benzenebutanoic acid, β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-γ-phenyl-, (βR)- are: (1)ACD/LogP: 7.49; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.14 ; (4)ACD/LogD (pH 7.4): 4.37; (5)ACD/BCF (pH 5.5): 12887.66; (6)ACD/BCF (pH 7.4): 220.32; (7)ACD/KOC (pH 5.5): 12588.05; (8)ACD/KOC (pH 7.4): 215.2; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 137.43 cm³; (15)Molar Volume: 383.7 cm³; (16)Polarizability: 54.48×10^-24cm³; (17)Surface Tension: 55.3 dyne/cm; (18)Density: 1.244 g/cm³; (19)Flash Point: 371.9 °C; (20)Enthalpy of Vaporization: 106.39 kJ/mol; (21)Boiling Point: 691.3 °C at 760 mmHg; (22)Vapour Pressure: 4.62E-20 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C[C@@H](NC(=O)OCC3c1ccccc1c2c3cccc2)C(c4ccccc4)c5ccccc5
(2)InChI: InChI=1S/C31H27NO4/c33-29(34)19-28(30(21-11-3-1-4-12-21)22-13-5-2-6-14-22)32-31(35)36-20-27-25-17-9-7-15-23(25)24-16-8-10-18-26(24)27/h1-18,27-28,30H,19-20H2,(H,32,35)(H,33,34)/t28-/m1/s1
(3)InChIKey: GQRZIYGFRVKFSB-MUUNZHRXSA-N