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Benzenebutanoic acid,2-chloro-b-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(bS)- (270596-37-7)

Identification
Name:Benzenebutanoic acid,2-chloro-b-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(bS)-
Synonyms:(S)-N-(9-Fluorenylmethyloxycarbonyl)-3-amino-4-(2-chlorophenyl)butyric acid
CAS:270596-37-7
Molecular Formula: C25H22ClNO4
Molecular Weight: 435.9
InChI: InChI=1/C25H22ClNO4/c26-23-12-6-1-7-16(23)13-17(14-24(28)29)27-25(30)31-15-22-20-10-4-2-8-18(20)19-9-3-5-11-21(19)22/h1-12,17,22H,13-15H2,(H,27,30)(H,28,29)/t17-/m0/s1
Molecular Structure: (C25H22ClNO4) (S)-N-(9-Fluorenylmethyloxycarbonyl)-3-amino-4-(2-chlorophenyl)butyric acid
Properties
Density:1.313 g/cm3
Refractive index:1.628
Specification:

The systematic name of Fmoc-(S)-3-Amino-4-(2-chlorophenyl)butyric acid is (3S)-4-(2-chlorophenyl)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid . With the CAS registry number 270596-37-7, it is also named as Benzenebutanoic acid, 2-chloro-beta-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (betaS)- . The product's categories are 3-amino-4-phenylbutyric acid analogs, 3-amino-4-phenylbutanoic acid analogs and B-amino.

The other characteristics of this product can be summarized as: (1)ACD/BCF (pH 5.5): 1542.22 ; (2)ACD/BCF (pH 7.4): 25.9 ; (3)ACD/KOC (pH 5.5): 2832.07 ; (4)ACD/KOC (pH 7.4): 47.55 ; (5)#H bond acceptors: 5 ; (6)#H bond donors: 2 ; (7)#Freely Rotating Bonds: 8 ; (8)Index of Refraction: 1.628 ; (9)Molar Refractivity: 117.92 cm3 ; (10)Molar Volume: 331.8 cm3 ; (11) Polarizability: 46.75×10-24 cm3 ; (12)Surface Tension: 56.4 dyne/cm ; (13)Enthalpy of Vaporization: 101.18 kJ/mol ; (14)Vapour Pressure: 5.62E-18 mmHg at 25°C.

People can use the following data to convert to the molecule structure. SMILES: Clc1ccccc1C[C@H](NC(=O)OCC4c2ccccc2c3c4cccc3)CC(=O)O; InChI: InChI=1/C25H22ClNO4/c26-23-12-6-1-7-16(23)13-17(14-24(28)29)27-25(30)31-15-22-20-10-4-2-8-18(20)19-9-3-5-11-21(19)22/h1-12,17,22H,13-15H2,(H,27,30)(H,28,29)/t17-/m0/s1. Fmoc-(S)-3-Amino-4-(2-chlorophenyl)butyric acid has many suppliers, such as Shanghai Hengbai Biotech Co., Ltd. and Suzhou Haiyu Biochem Industrial Co., Ltd..

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