[2-oxidanylidene-2-(propan-2-ylamino)ethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]propionic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C16H23N3O6S MolecularWeight: 385.43532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)C(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC(C)C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C

InChI

InChI=1S/C16H23N3O6S/c1-10(2)17-15(21)9-25-16(22)11(3)19-26(23,24)14-7-5-13(6-8-14)18-12(4)20/h5-8,10-11,19H,9H2,1-4H3,(H,17,21)(H,18,20)/t11-/m0/s1