Fmoc-L-beta-homoisoleucine

The IUPAC name of Fmoc-L-beta-homoisoleucine is (3R,4R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylhexanoic acid. With the CAS registry number 193954-27-7, it is also named as Hexanoic acid,3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4-methyl-, (3R,4S)-. The product's categories are β-Homo Amino Acids; Beta amino acids; Unusual Amino Acids; Amino Acid Derivatives. In addition, its molecular formula is C₂₂H₂₅NO₄ and its molecular weight is 367.44. This chemical is white powder which should be stored in closed container in a cool, dry warehouse at 2-8 °C.

The other characteristics of Fmoc-L-beta-homoisoleucine can be summarized as: (1)ACD/LogP: 5.12; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.88; (4)ACD/LogD (pH 7.4): 2.09; (5)ACD/BCF (pH 5.5): 261.9; (6)ACD/BCF (pH 7.4): 4.3; (7)ACD/KOC (pH 5.5): 829.6; (8)ACD/KOC (pH 7.4): 13.62; (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: 1.576; (14)Molar Refractivity: 102.4 cm³; (15)Molar Volume: 309.1 cm³; (16)Polarizability: 40.59×10^-24cm³; (17)Surface Tension: 49.1 dyne/cm; (18)Density: 1.188 g/cm³; (19)Flash Point: 299.8 °C; (20)Enthalpy of Vaporization: 90.23 kJ/mol; (21)Boiling Point: 572.1 °C at 760 mmHg; (22)Vapour Pressure: 6.3E-14 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)C[C@@H](NC(=O)OCC3c1ccccc1c2c3cccc2)[C@H](C)CC
(2)InChI: InChI=1/C22H25NO4/c1-3-14(2)20(12-21(24)25)23-22(26)27-13-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,19-20H,3,12-13H2,1-2H3,(H,23,26)(H,24,25)/t14-,20-/m1/s1
(3)InChIKey: VHZUUIWBAYOCDD-JLTOFOAXBV
(4)Std. InChI: InChI=1S/C22H25NO4/c1-3-14(2)20(12-21(24)25)23-22(26)27-13-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,19-20H,3,12-13H2,1-2H3,(H,23,26)(H,24,25)/t14-,20-/m1/s1
(5)Std. InChIKey: VHZUUIWBAYOCDD-JLTOFOAXSA-N