[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate

Systemtic Name: [2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: [2-(isoxazol-3-ylamino)-2-oxo-ethyl] (2S)-3-methyl-2-(p-tolylsulfonylamino)butanoate CAS Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid [2-(3-isoxazolylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: (2S)-3-methyl-2-(tosylamino)butyric acid [2-(isoxazol-3-ylamino)-2-keto-ethyl] ester Formula: C17H21N3O6S MolecularWeight: 395.43014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OCC(=O)NC2=NOC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)OCC(=O)NC2=NOC=C2

InChI

InChI=1S/C17H21N3O6S/c1-11(2)16(20-27(23,24)13-6-4-12(3)5-7-13)17(22)25-10-15(21)18-14-8-9-26-19-14/h4-9,11,16,20H,10H2,1-3H3,(H,18,19,21)/t16-/m0/s1