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

Systemtic Name: 4-[[[(2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[[(2S,3S)-3-methyl-2-(p-tolylsulfonylamino)pentanoyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[(2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-1-oxopentyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[[(2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[[(2S,3S)-3-methyl-2-(tosylamino)pentanoyl]amino]methyl]cyclohexanecarboxylate Formula: C21H31N2O5S- MolecularWeight: 423.54624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC1CCC(CC1)C(=O)[O-])NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NCC1CCC(CC1)C(=O)[O-])NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H32N2O5S/c1-4-15(3)19(23-29(27,28)18-11-5-14(2)6-12-18)20(24)22-13-16-7-9-17(10-8-16)21(25)26/h5-6,11-12,15-17,19,23H,4,7-10,13H2,1-3H3,(H,22,24)(H,25,26)/p-1/t15-,16?,17?,19-/m0/s1