[2-(tert-butylamino)-2-oxidanylidene-ethyl] (2S)-4-methylsulfanyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] (2S)-4-methylsulfanyl-2-(phenylsulfonylamino)butanoate Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-(benzenesulfonamido)-4-(methylthio)butanoic acid [2-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate Traditional Name: (2S)-2-(benzenesulfonamido)-4-(methylthio)butyric acid [2-(tert-butylamino)-2-keto-ethyl] ester Formula: C17H26N2O5S2 MolecularWeight: 402.52874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O5S2/c1-17(2,3)18-15(20)12-24-16(21)14(10-11-25-4)19-26(22,23)13-8-6-5-7-9-13/h5-9,14,19H,10-12H2,1-4H3,(H,18,20)/t14-/m0/s1