[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: [(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl] 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetic acid [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetic acid [(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H25N3O6S MolecularWeight: 399.4619

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)OC(=O)CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)NC(C)C)OC(=O)CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C

InChI

InChI=1S/C17H25N3O6S/c1-11(2)18-17(23)12(3)26-16(22)10-20(5)27(24,25)15-8-6-14(7-9-15)19-13(4)21/h6-9,11-12H,10H2,1-5H3,(H,18,23)(H,19,21)/t12-/m0/s1