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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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