[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: [(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoic acid [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]propionic acid [(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H25N3O6S MolecularWeight: 399.4619

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O6S/c1-10(2)18-16(22)12(4)26-17(23)11(3)20-27(24,25)15-8-6-14(7-9-15)19-13(5)21/h6-12,20H,1-5H3,(H,18,22)(H,19,21)/t11-,12-/m0/s1