FMOC-(S)-3-AMINO-4-(3-METHYL-PHENYL)-BUTYRIC ACID

The Fmoc-(S)-3-Amino-4-(3-methylphenyl)butyric acid with the CAS number 270062-94-7 is also called Benzenebutanoic acid, b-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-3-methyl-,(bS)-. The systematic name is (3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-(3-methylphenyl)butanoic acid. Its molecular formula is C₂₆H₂₅NO₄. This chemical belongs to the following product categories: (1)3-Amino-4-phenylbutanoic Acid Analogs; (2)B-Amino. While using this chemical, you should take the following instructions. Firstly you should avoid this chemical contact with skin and eyes. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

The properties of the chemical are: (1)ACD/LogP: 6.08; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.84; (4)ACD/LogD (pH 7.4): 3.05; (5)ACD/BCF (pH 5.5): 1404.5; (6)ACD/BCF (pH 7.4): 23.06; (7)ACD/KOC (pH 5.5): 2758.28; (8)ACD/KOC (pH 7.4): 45.3; (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: 1.618; (14)Molar Refractivity: 117.85 cm³; (15)Molar Volume: 336.2 cm³; (16)Polarizability: 46.72×10^-24cm³; (17)Surface Tension: 54 dyne/cm; (18)Enthalpy of Vaporization: 99.55 kJ/mol; (19)Vapour Pressure: 2.39×10^-17 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)Cc4cccc(c4)C
(2)InChI: InChI=1/C26H25NO4/c1-17-7-6-8-18(13-17)14-19(15-25(28)29)27-26(30)31-16-24-22-11-4-2-9-20(22)21-10-3-5-12-23(21)24/h2-13,19,24H,14-16H2,1H3,(H,27,30)(H,28,29)/t19-/m0/s1
(3)InChIKey: UKIDBCGNTDOQRO-IBGZPJMEBE