Benzenepropanoic acid, b-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-3-nitro-,(bS)- (374791-01-2)

The Fmoc-(S)-3-Amino-3-(3-nirtophenyl)propionic acid with the cas number 374791-01-2 is also called Benzenepropanoic acid, b-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-3-nitro-,(bS)-. The IUPAC name is (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-nitrophenyl)propanoate. Its molecular formula is C₂₄H₂₀N₂O₆. This chemical belongs to the following product categories: (1)3-Amino-3-phenylpropanoic Acid Analogs; (2)Phenylalanine analogs and other aromatic alpha amino acids; (3)B-Amino.

The properties of the chemical are: (1)ACD/LogP: 4.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.37; (4)ACD/LogD (pH 7.4): 1.64; (5)ACD/BCF (pH 5.5): 92.65; (6)ACD/BCF (pH 7.4): 1.74; (7)ACD/KOC (pH 5.5): 329.59; (8)ACD/KOC (pH 7.4): 6.18; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 101.66 Å²; (13)Index of Refraction: 1.649; (14)Molar Refractivity: 114.99 cm³; (15)Molar Volume: 315.6 cm³; (16)Polarizability: 45.58×10^-24cm³; (17)Surface Tension: 63.4 dyne/cm; (18)Enthalpy of Vaporization: 103.28 kJ/mol; (19)Vapour Pressure: 8.37×10^-19 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cccc(c1)[C@@H](NC(=O)OCC4c2ccccc2c3c4cccc3)CC(=O)O
(2)InChI: InChI=1/C24H20N2O6/c27-23(28)13-22(15-6-5-7-16(12-15)26(30)31)25-24(29)32-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21-22H,13-14H2,(H,25,29)(H,27,28)/t22-/m0/s1
(3)InChIKey: SFZOBIQWMMCMFE-QFIPXVFZBK