L-Phenylalanine,4-(1,1-dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]- (213383-02-9)

The CAS register number of Fmoc-4-tert-butyl-L-phenylalanine is 213383-02-9. It also can be called as Fmoc-L-4-tert-butyl-Phe and the IUPAC name about this chemical is (2S)-3-(4-tert-butylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid. The molecular formula about this chemical is C₂₈H₂₉NO₄ and the molecular weight is 443.53. It belongs to the following product categories, such as Amino Acids, Phenylalanine analogs and other aromatic alpha amino acids and so on.

Physical properties about Fmoc-4-tert-butyl-L-phenylalanine are: (1)ACD/LogP: 7.09; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.99; (4)ACD/LogD (pH 7.4): 3.53; (5)ACD/BCF (pH 5.5): 1139.27; (6)ACD/BCF (pH 7.4): 39.92; (7)ACD/KOC (pH 5.5): 1353.05; (8)ACD/KOC (pH 7.4): 47.41; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 55.84Ų; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 126.78 cm³; (15)Molar Volume: 370.1 cm³; (16)Polarizability: 50.26x10^-24cm³; (17)Surface Tension: 49.6 dyne/cm; (18)Enthalpy of Vaporization: 99.02 kJ/mol; (19)Boiling Point: 637.9 °C at 760 mmHg; (20)Vapour Pressure: 3.82E-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](NC(=O)OCC3c1ccccc1c2c3cccc2)Cc4ccc(cc4)C(C)(C)C
(2)InChI: InChI=1/C28H29NO4/c1-28(2,3)19-14-12-18(13-15-19)16-25(26(30)31)29-27(32)33-17-24-22-10-6-4-8-20(22)21-9-5-7-11-23(21)24/h4-15,24-25H,16-17H2,1-3H3,(H,29,32)(H,30,31)/t25-/m0/s1
(3)InChIKey: OKEORFXNCSRZFL-VWLOTQADBM
(4)Std. InChI: InChI=1S/C28H29NO4/c1-28(2,3)19-14-12-18(13-15-19)16-25(26(30)31)29-27(32)33-17-24-22-10-6-4-8-20(22)21-9-5-7-11-23(21)24/h4-15,24-25H,16-17H2,1-3H3,(H,29,32)(H,30,31)/t25-/m0/s1
(5)Std. InChIKey: OKEORFXNCSRZFL-VWLOTQADSA-N