L-Ornithine,N2-[(1,1-dimethylethoxy)carbonyl]-N5-[imino[[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]amino]methyl]- (102185-38-6)

The L-Ornithine,N2-[(1,1-dimethylethoxy)carbonyl]-N5-[imino[[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]amino]methyl]-, with the CAS registry number 102185-38-6, is also known as Boc-Arg(Mtr)-OH and N-Boc-N'-(4-methoxy-2,3,6-trimethylbenzenesulfonyl)-L-arginine. It belongs to the product category of Amino Acids. This chemical's molecular formula is C₂₁H₃₄N₄O₇S and molecular weight is 486.59. What's more, its systematic name is called (2S)-2-(tert-Butoxycarbonylamino)-5-[[N-(2,4,6-trimethylphenyl)sulfonylcarbamimidoyl]amino]pentanoic acid. 

Physical properties about L-Ornithine,N2-[(1,1-dimethylethoxy)carbonyl]-N5-[imino[[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]amino]methyl]- are: (1) ACD/LogP: 2.87; (2) # of Rule of 5 Violations: 2; (3) ACD/LogD (pH 5.5): 0.93; (4) Surface Tension: 45.8 dyne/cm; (5) #H bond acceptors: 10; (6) #H bond donors: 5; (7) #Freely Rotating Bonds: 9; (8) Polar Surface Area: 166.06 Å²; (9) Index of Refraction: 1.568; (10) Molar Refractivity: 116.36 cm³; (11) Molar Volume: 355.4 cm³; (12) Density: 1.28 g/cm³.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Besides, this chemicals may cause damage to health ,even it has limited evidence of a carcinogenic effect. Therefore, you should wear suitable protective clothing. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)C(O)=O)c1c(C)cc(C)cc1C
(2) InChI: InChI=1/C20H32N4O6S/c1-12-10-13(2)16(14(3)11-12)31(28,29)24-18(21)22-9-7-8-15(17(25)26)23-19(27)30-20(4,5)6/h10-11,15H,7-9H2,1-6H3,(H,23,27)(H,25,26)(H3,21,22,24)/t15-/m0/s1
(3) InChIKey: QXWQVNSGMVITAR-HNNXBMFYBW