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The Boc-Arg(Mts)-OH is an organic compound with the formula C20H32N4O6S. The systematic name of this chemical is (2S)-2-(tert-butoxycarbonylamino)-5-[[N-(2,4,6-trimethylphenyl)sulfonylcarbamimidoyl]amino]pentanoic acid. With the CAS registry number 136625-03-1, it is also named as Boc-Arg(Mts)-OH cyclohexylammonium salt. The product's category is Arginine [Arg, R].
Physical properties about Boc-Arg(Mts)-OH are: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 0.93; (4)ACD/LogD (pH 7.4): ; (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)Polarizability: 46.13×10-24cm3; (13)Surface Tension: 45.8 dyne/cm; (14)Density: 1.28 g/cm3.
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
(4)Std. InChI: InChI=1S/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
(5)Std. InChIKey: QXWQVNSGMVITAR-HNNXBMFYSA-N