[(2R)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-(butylsulfonylamino)propanoate

Systemtic Name: [(2R)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-(butylsulfonylamino)propanoate Openeye Name: [(1R)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] (2S)-2-(butylsulfonylamino)propanoate CAS Name: (2S)-2-(butylsulfonylamino)propanoic acid [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-(butylsulfonylamino)propanoate Traditional Name: (2S)-2-(butylsulfonylamino)propionic acid [(1R)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C17H26N2O5S MolecularWeight: 370.46374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(C)C(=O)OC(C)C(=O)NC1=CC=C(C=C1)C

Isomeric SMILES

CCCCS(=O)(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NC1=CC=C(C=C1)C

InChI

InChI=1S/C17H26N2O5S/c1-5-6-11-25(22,23)19-13(3)17(21)24-14(4)16(20)18-15-9-7-12(2)8-10-15/h7-10,13-14,19H,5-6,11H2,1-4H3,(H,18,20)/t13-,14+/m0/s1