(1R,2R)-3-tert-butylsulfanyl-5-methyl-N1-[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-N2-oxidanyl-cyclohex-4-ene-1,2-dicarboxamide

Systemtic Name: (1R,2R)-3-tert-butylsulfanyl-5-methyl-N1-[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-N2-oxidanyl-cyclohex-4-ene-1,2-dicarboxamide Openeye Name: (1R,6R)-N-[(1S)-1-benzyl-2-(methylamino)-2-oxo-ethyl]-5-tert-butylsulfanyl-6-(hydroxycarbamoyl)-3-methyl-cyclohex-3-ene-1-carboxamide CAS Name: (1R,2R)-3-(tert-butylthio)-N2-hydroxy-5-methyl-N1-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]cyclohex-4-ene-1,2-dicarboxamide IUPAC Name: (1R,2R)-3-tert-butylsulfanyl-2-N-hydroxy-5-methyl-1-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]cyclohex-4-ene-1,2-dicarboxamide Traditional Name: (1R,6R)-N-[(1S)-1-benzyl-2-keto-2-(methylamino)ethyl]-5-(tert-butylthio)-6-(hydroxycarbamoyl)-3-methyl-cyclohex-3-ene-1-carboxamide Formula: C23H33N3O4S MolecularWeight: 447.59082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(C(C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC)C(=O)NO)SC(C)(C)C

Isomeric SMILES

CC1=CC([C@H]([C@@H](C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NC)C(=O)NO)SC(C)(C)C

InChI

InChI=1S/C23H33N3O4S/c1-14-11-16(19(22(29)26-30)18(12-14)31-23(2,3)4)20(27)25-17(21(28)24-5)13-15-9-7-6-8-10-15/h6-10,12,16-19,30H,11,13H2,1-5H3,(H,24,28)(H,25,27)(H,26,29)/t16-,17+,18?,19+/m1/s1