[3-[[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]cyclohexyl] 4-methylbenzenesulfonate

Systemtic Name: [3-[[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]cyclohexyl] 4-methylbenzenesulfonate Openeye Name: [3-[[4-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]cyclohexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[[3-methyl-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]amino]cyclohexyl] ester IUPAC Name: [3-[[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]cyclohexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[[4-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]cyclohexyl] ester Formula: C23H36N2O6S MolecularWeight: 468.60674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCC(C2)NC(=O)CC(C)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCC(C2)NC(=O)CC(C)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C23H36N2O6S/c1-16-9-11-20(12-10-16)32(28,29)31-19-8-6-7-18(14-19)25-21(26)13-17(2)15-24-22(27)30-23(3,4)5/h9-12,17-19H,6-8,13-15H2,1-5H3,(H,24,27)(H,25,26)