4-[[[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: 4-[[[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[[(2S)-3-methyl-2-(p-tolylsulfonylamino)butanoyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-1-oxobutyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[[(2S)-3-methyl-2-(tosylamino)butanoyl]amino]methyl]cyclohexanecarboxylate Formula: C20H29N2O5S- MolecularWeight: 409.51966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)NCC2CCC(CC2)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)NCC2CCC(CC2)C(=O)[O-]

InChI

InChI=1S/C20H30N2O5S/c1-13(2)18(22-28(26,27)17-10-4-14(3)5-11-17)19(23)21-12-15-6-8-16(9-7-15)20(24)25/h4-5,10-11,13,15-16,18,22H,6-9,12H2,1-3H3,(H,21,23)(H,24,25)/p-1/t15?,16?,18-/m0/s1