FMOC-(S)-3-AMINO-3-(4-BROMO-PHENYL)-PROPIONIC ACID

The Benzenepropanoic acid,4-bromo-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(bS)-, with CAS registry number 220497-68-7, belongs to the following product categories: (1)3-Amino-3-phenylpropionic Acid Analogs; (2)B-Amino. It has the systematic name of (3S)-3-(4-bromophenyl)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid. This chemical is a kind of white to off-white crystals. When use this chemical, avoid contact with skin and eyes.

Physical properties of Benzenepropanoic acid,4-bromo-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(bS)-: (1)ACD/LogP: 5.93; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.51; (4)ACD/LogD (pH 7.4): 2.76; (5)ACD/BCF (pH 5.5): 720.13; (6)ACD/BCF (pH 7.4): 12.74; (7)ACD/KOC (pH 5.5): 1525.97; (8)ACD/KOC (pH 7.4): 26.99; (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: 1.645; (14)Molar Refractivity: 116.13 cm³; (15)Molar Volume: 319.9 cm³; (16)Polarizability: 46.03×10^-24cm³; (17)Surface Tension: 58.7 dyne/cm; (18)Density: 1.457 g/cm³; (19)Flash Point: 355.6 °C; (20)Enthalpy of Vaporization: 102.66 kJ/mol; (21)Boiling Point: 664.4 °C at 760 mmHg; (22)Vapour Pressure: 1.47E-18 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(cc1)[C@@H](NC(=O)OCC4c2ccccc2c3c4cccc3)CC(=O)O
(2)InChI: InChI=1/C24H20BrNO4/c25-16-11-9-15(10-12-16)22(13-23(27)28)26-24(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)/t22-/m0/s1
(3)InChIKey: GVCLAQFMSVKNKH-QFIPXVFZBY
(4)Std. InChI: InChI=1S/C24H20BrNO4/c25-16-11-9-15(10-12-16)22(13-23(27)28)26-24(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)/t22-/m0/s1
(5)Std. InChIKey: GVCLAQFMSVKNKH-QFIPXVFZSA-N