L-Ornithine,N5-[(dimethylamino)iminomethyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]- (268564-10-9)

The N-Fmoc-N',N'-dimethyl-L-arginine (asymmetrical), with the CAS registry number 268564-10-9, has the systematic name of (2S)-5-[(N,N-dimethylcarbamimidoyl)amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid. And the molecular formula of the chemical is C₂₃H₂₈N₄O₄.

The characteristics of N-Fmoc-N',N'-dimethyl-L-arginine (asymmetrical) are as followings: (1)ACD/LogP: 3.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.755; (4)ACD/LogD (pH 7.4): 0.747; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.481; (8)ACD/KOC (pH 7.4): 4.402; (9)#H bond acceptors: 8; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 114.75 Å²; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 116.454 cm³; (15)Molar Volume: 330.619 cm³; (16)Polarizability: 46.166×10^-24cm³; (17)Surface Tension: 50.178 dyne/cm; (18)Density: 1.284 g/cm³.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CN(C)C(=N)NCCC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2-c3c1cccc3
(2)InChI: InChI=1/C23H28N4O4/c1-27(2)22(24)25-13-7-12-20(21(28)29)26-23(30)31-14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,19-20H,7,12-14H2,1-2H3,(H2,24,25)(H,26,30)(H,28,29)/t20-/m0/s1
(3)InChIKey: QXAXLSMKNHJDNM-FQEVSTJZBT