[(2S)-6-[(2-methylphenyl)carbamoylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl] methanesulfonate

Systemtic Name: [(2S)-6-[(2-methylphenyl)carbamoylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl] methanesulfonate Openeye Name: [(2S)-2-(tert-butoxycarbonylamino)-6-(o-tolylcarbamoylamino)hexyl] methanesulfonate CAS Name: methanesulfonic acid [(2S)-6-[[(2-methylanilino)-oxomethyl]amino]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexyl] ester IUPAC Name: [(2S)-6-[(2-methylphenyl)carbamoylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl] methanesulfonate Traditional Name: methanesulfonic acid [(2S)-2-(tert-butoxycarbonylamino)-6-(o-tolylcarbamoylamino)hexyl] ester Formula: C20H33N3O6S MolecularWeight: 443.55752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NCCCCC(COS(=O)(=O)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NCCCC[C@@H](COS(=O)(=O)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H33N3O6S/c1-15-10-6-7-12-17(15)23-18(24)21-13-9-8-11-16(14-28-30(5,26)27)22-19(25)29-20(2,3)4/h6-7,10,12,16H,8-9,11,13-14H2,1-5H3,(H,22,25)(H2,21,23,24)/t16-/m0/s1