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

The (S)-3-(Fmoc-amino)-4-(3-cyanophenyl)butyric acid, with the CAS registry number 270065-87-7, is also known as (S)-Fmoc-3-cyano-β-Homophe-OH. It belongs to the product categories of 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino. This chemical's molecular formula is C₂₆H₂₂N₂O₄ and molecular weight is 426.46. What's more, its systematic name is (3S)-4-(3-cyanophenyl)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid. The product should be sealed and stored in containers with dry inert gas which are placed in cool and dry places. It should be protected from strong oxidizers. What's more, its storage temperature is 2 - 8°C. You should not breathe dust. When using it, you should avoid contacting with skin and eyes.

Physical properties of (S)-3-(Fmoc-amino)-4-(3-cyanophenyl)butyric acid are: (1)ACD/LogP: 5.06; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.74; (4)ACD/LogD (pH 7.4): 1.97; (5)ACD/BCF (pH 5.5): 199.19; (6)ACD/BCF (pH 7.4): 3.36; (7)ACD/KOC (pH 5.5): 650.78; (8)ACD/KOC (pH 7.4): 10.96; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 79.63 Å²; (13)Index of Refraction: 1.662; (14)Molar Refractivity: 118.21 cm³; (15)Molar Volume: 319.4 cm³; (16)Surface Tension: 68.3 dyne/cm; (17)Density: 1.33 g/cm³; (18)Flash Point: 366.6 °C; (19)Enthalpy of Vaporization: 105.17 kJ/mol; (20)Boiling Point: 682.6 °C at 760 mmHg; (21)Vapour Pressure: 1.45E-19 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cccc(c1)C[C@H](NC(=O)OCC4c2ccccc2c3c4cccc3)CC(=O)O
(2)InChI: InChI=1S/C26H22N2O4/c27-15-18-7-5-6-17(12-18)13-19(14-25(29)30)28-26(31)32-16-24-22-10-3-1-8-20(22)21-9-2-4-11-23(21)24/h1-12,19,24H,13-14,16H2,(H,28,31)(H,29,30)/t19-/m0/s1
(3)InChIKey: JCMKWCSZEZUIQG-IBGZPJMESA-N