(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[2-(2-methylpropanoylamino)ethyl]butanamide

Systemtic Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[2-(2-methylpropanoylamino)ethyl]butanamide Openeye Name: (2S)-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]-2-(p-tolylsulfonylamino)butanamide CAS Name: (2S)-3-methyl-N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]-2-[(4-methylphenyl)sulfonylamino]butanamide IUPAC Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[2-(2-methylpropanoylamino)ethyl]butanamide Traditional Name: (2S)-N-[2-(isobutyrylamino)ethyl]-3-methyl-2-(tosylamino)butyramide Formula: C18H29N3O4S MolecularWeight: 383.50556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)NCCNC(=O)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)NCCNC(=O)C(C)C

InChI

InChI=1S/C18H29N3O4S/c1-12(2)16(18(23)20-11-10-19-17(22)13(3)4)21-26(24,25)15-8-6-14(5)7-9-15/h6-9,12-13,16,21H,10-11H2,1-5H3,(H,19,22)(H,20,23)/t16-/m0/s1