[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] (2S)-4-methylsulfanyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] (2S)-4-methylsulfanyl-2-(phenylsulfonylamino)butanoate Openeye Name: [(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-(benzenesulfonamido)-4-(methylthio)butanoic acid [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate Traditional Name: (2S)-2-(benzenesulfonamido)-4-(methylthio)butyric acid [(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H24N2O5S2 MolecularWeight: 400.51286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C(CCSC)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)NC1CC1)OC(=O)[C@H](CCSC)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H24N2O5S2/c1-12(16(20)18-13-8-9-13)24-17(21)15(10-11-25-2)19-26(22,23)14-6-4-3-5-7-14/h3-7,12-13,15,19H,8-11H2,1-2H3,(H,18,20)/t12-,15+/m1/s1