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

Systemtic Name: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoic acid [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]propionic acid [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H27N3O6S MolecularWeight: 413.48848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=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)NCC(C)C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C

InChI

InChI=1S/C18H27N3O6S/c1-11(2)10-19-17(23)13(4)27-18(24)12(3)21-28(25,26)16-8-6-15(7-9-16)20-14(5)22/h6-9,11-13,21H,10H2,1-5H3,(H,19,23)(H,20,22)/t12-,13-/m0/s1