[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] (2S)-3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] (2S)-3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] (2S)-2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: (2S)-2-(benzenesulfonamido)-3-methylbutanoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] (2S)-2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: (2S)-2-(benzenesulfonamido)-3-methyl-butyric acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NCCCSC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NCCCSC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H28N2O5S2/c1-17(2)21(24-31(27,28)19-12-7-4-8-13-19)22(26)29-16-20(25)23-14-9-15-30-18-10-5-3-6-11-18/h3-8,10-13,17,21,24H,9,14-16H2,1-2H3,(H,23,25)/t21-/m0/s1