L-Ornithine,N5-[imino[[(4-methylphenyl)sulfonyl]amino]methyl]- (4353-32-6)

The L-Ornithine,N5-[imino[[(4-methylphenyl)sulfonyl]amino]methyl]-, with the CAS registry number 4353-32-6, is also known as N'-p-Tosyl-L-arginine and H-Arg(Tos)-OH. It belongs to the product categories of Amino Acids Derivatives; Arginine [Arg, R]; Amino Acids and Derivatives; Amino Acid Derivatives. This chemical's molecular formula is C₁₃H₂₀N₄O₄S and molecular weight is 328.39. What's more, its systematic name is called (E)-N5-(Amino{[(4-methylphenyl)sulfonyl]amino}methylidene)-L-ornithine.

Physical properties about L-Ornithine,N5-[imino[[(4-methylphenyl)sulfonyl]amino]methyl]- are: (1) ACD/LogP: 0.65; (2) # of Rule of 5 Violations: 1; (3) #H bond acceptors: 8; (4) #H bond donors: 6; (5) #Freely Rotating Bonds: 7; (6) Polar Surface Area: 90.9 Å²; (7) Index of Refraction: 1.621; (8) Molar Refractivity: 81.11 cm³; (9) Molar Volume: 230.3 cm³; (10) Surface Tension: 59.6 dyne/cm; (11) Density: 1.42 g/cm³; (12) Flash Point: 290.9 °C; (13) Enthalpy of Vaporization: 88.29 kJ/mol; (14) Boiling Point: 557.3 °C at 760 mmHg; (15) Vapour Pressure: 2.95E-13 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(c1ccc(cc1)C)NC(=N/CCC[C@@H](C(=O)O)N)/N
(2) InChI: InChI=1/C13H20N4O4S/c1-9-4-6-10(7-5-9)22(20,21)17-13(15)16-8-2-3-11(14)12(18)19/h4-7,11H,2-3,8,14H2,1H3,(H,18,19)(H3,15,16,17)/t11-/m0/s1
(3) InChIKey: SLTWQHUEZWYAOI-NSHDSACABF