Benzenebutanoic acid,3-chloro-b-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(bS)- (270596-40-2)

The IUPAC name of Fmoc-(S)-3-Amino-4-(3-chlorophenyl)butyric acid is (3S)-3-amino-4-(3-chlorophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid. With the CAS registry number 270596-40-2, it is also named as (S)-N-(9-Fluorenylmethyloxycarbonyl)-3-amino-4-(3-chlorophenyl)butyric acid. The product's categories are 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino. In addition, its molecular formula is C₂₅H₂₂ClNO₄ and its molecular weight is 435.9. 

The other characteristics of Fmoc-(S)-3-Amino-4-(3-chlorophenyl)butyric acid can be summarized as: (1)ACD/LogP: 6.22; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.92; (4)ACD/LogD (pH 7.4): 3.14; (5)ACD/BCF (pH 5.5): 1577.47; (6)ACD/BCF (pH 7.4): 26.39; (7)ACD/KOC (pH 5.5): 2896.8; (8)ACD/KOC (pH 7.4): 48.45; (9)H bond acceptors: 5; (10)H bond donors: 2; (11)Freely Rotating Bonds: 8; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.628; (14)Molar Refractivity: 117.92 cm³; (15)Molar Volume: 331.8 cm³; (16)Polarizability: 46.75×10^-24cm³; (17)Surface Tension: 56.4 dyne/cm; (18)Density: 1.313 g/cm³; (19)Flash Point: 349.1 °C; (20)Enthalpy of Vaporization: 101.18 kJ/mol; (21)Boiling Point: 653.6 °C at 760 mmHg; (22)Vapour Pressure: 5.62E-18 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Clc1cccc(c1)C[C@H](NC(=O)OCC4c2ccccc2c3c4cccc3)CC(=O)O
(2)InChI:InChI=1/C25H22ClNO4/c26-17-7-5-6-16(12-17)13-18(14-24(28)29)27-25(30)31-15-23-21-10-3-1-8-19(21)20-9-2-4-11-22(20)23/h1-12,18,23H,13-15H2,(H,27,30)(H,28,29)/t18-/m0/s1
(3)InChIKey:MAKZBMVPIFVGPV-SFHVURJKBN
(4)Std. InChI:InChI=1S/C25H22ClNO4/c26-17-7-5-6-16(12-17)13-18(14-24(28)29)27-25(30)31-15-23-21-10-3-1-8-19(21)20-9-2-4-11-22(20)23/h1-12,18,23H,13-15H2,(H,27,30)(H,28,29)/t18-/m0/s1
(5)Std. InChIKey:MAKZBMVPIFVGPV-SFHVURJKSA-N