Benzenebutanoic acid, b-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4-methyl-,(bS)- (270062-97-0)

The Fmoc-(S)-3-Amino-4-(4-methylphenyl)butanoic acid, with the CAS registry number 270062-97-0, is also known as (S)-N-(9-Fluorenylmethyloxycarbonyl)-3-amino-4-(4-methylphenyl)butanoic acid. It belongs to the product categories of 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino. This chemical's molecular formula is C₂₆H₂₅NO₄ and formula weight is 415.48. What's more, its systematic name is called (3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-(4-methylphenyl)butanoic acid.

Physical properties of Fmoc-(S)-3-Amino-4-(4-methylphenyl)butanoic acid: (1)ACD/LogP: 6.08; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.82; (4)ACD/LogD (pH 7.4): 3.04; (5)ACD/BCF (pH 5.5): 1363.07; (6)ACD/BCF (pH 7.4): 22.48; (7)ACD/KOC (pH 5.5): 2676.9; (8)ACD/KOC (pH 7.4): 44.15; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Index of Refraction: 1.618; (13)Molar Refractivity: 117.85 cm³; (14)Molar Volume: 336.2 cm³; (15)Surface Tension: 54 dyne/cm; (16)Density: 1.235 g/cm³; (17)Flash Point: 342.2 °C; (18)Enthalpy of Vaporization: 99.62 kJ/mol; (19)Boiling Point: 642.2 °C at 760 mmHg; (20)Vapour Pressure: 2.26E-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)Cc4ccc(cc4)C
(2)InChI: InChI=1/C26H25NO4/c1-17-10-12-18(13-11-17)14-19(15-25(28)29)27-26(30)31-16-24-22-8-4-2-6-20(22)21-7-3-5-9-23(21)24/h2-13,19,24H,14-16H2,1H3,(H,27,30)(H,28,29)/t19-/m0/s1
(3)InChIKey: YDTDVZCEZPHDPY-IBGZPJMEBO