(2S,3S)-3-(4-cyanophenyl)sulfanyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxidanylidene-butan-2-yl]-2-(2-methylpropyl)-N'-oxidanyl-butanediamide

Systemtic Name: (2S,3S)-3-(4-cyanophenyl)sulfanyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxidanylidene-butan-2-yl]-2-(2-methylpropyl)-N'-oxidanyl-butanediamide Openeye Name: (2S)-2-[(1S)-1-(4-cyanophenyl)sulfanyl-2-(hydroxyamino)-2-oxo-ethyl]-N-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-4-methyl-pentanamide CAS Name: (2S,3S)-3-[(4-cyanophenyl)thio]-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide IUPAC Name: (2S,3S)-3-(4-cyanophenyl)sulfanyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide Traditional Name: (2S)-2-[(1S)-1-[(4-cyanophenyl)thio]-2-(hydroxyamino)-2-keto-ethyl]-N-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-4-methyl-valeramide Formula: C22H32N4O4S MolecularWeight: 448.57888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C(=O)NO)SC1=CC=C(C=C1)C#N)C(=O)NC(C(=O)NC)C(C)(C)C

Isomeric SMILES

CC(C)C[C@H]([C@@H](C(=O)NO)SC1=CC=C(C=C1)C#N)C(=O)N[C@H](C(=O)NC)C(C)(C)C

InChI

InChI=1S/C22H32N4O4S/c1-13(2)11-16(19(27)25-18(21(29)24-6)22(3,4)5)17(20(28)26-30)31-15-9-7-14(12-23)8-10-15/h7-10,13,16-18,30H,11H2,1-6H3,(H,24,29)(H,25,27)(H,26,28)/t16-,17+,18-/m1/s1