[2-oxidanylidene-2-(propan-2-ylamino)ethyl] (2S)-4-methylsulfanyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] (2S)-4-methylsulfanyl-2-(phenylsulfonylamino)butanoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-(benzenesulfonamido)-4-(methylthio)butanoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate Traditional Name: (2S)-2-(benzenesulfonamido)-4-(methylthio)butyric acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C16H24N2O5S2 MolecularWeight: 388.50216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)C(CCSC)NS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O5S2/c1-12(2)17-15(19)11-23-16(20)14(9-10-24-3)18-25(21,22)13-7-5-4-6-8-13/h4-8,12,14,18H,9-11H2,1-3H3,(H,17,19)/t14-/m0/s1