S-[(5R)-2-(ethanoylsulfanylmethyl)-5-(2-methylpropyl)-6-(oxidanylcarbamoyl)-7-oxidanylidene-octyl] ethanethioate

Systemtic Name: S-[(5R)-2-(ethanoylsulfanylmethyl)-5-(2-methylpropyl)-6-(oxidanylcarbamoyl)-7-oxidanylidene-octyl] ethanethioate Openeye Name: S-[(5R)-2-(acetylsulfanylmethyl)-6-(hydroxycarbamoyl)-5-isobutyl-7-oxo-octyl] ethanethioate CAS Name: ethanethioic acid S-[(5R)-2-[(acetylthio)methyl]-6-[(hydroxyamino)-oxomethyl]-5-(2-methylpropyl)-7-oxooctyl] ester IUPAC Name: S-[(5R)-2-(acetylsulfanylmethyl)-6-(hydroxycarbamoyl)-5-(2-methylpropyl)-7-oxooctyl] ethanethioate Traditional Name: ethanethioic acid S-[(5R)-2-[(acetylthio)methyl]-6-(hydroxycarbamoyl)-5-isobutyl-7-keto-octyl] ester Formula: C18H31NO5S2 MolecularWeight: 405.57244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CCC(CSC(=O)C)CSC(=O)C)C(C(=O)C)C(=O)NO

Isomeric SMILES

CC(C)C[C@@H](CCC(CSC(=O)C)CSC(=O)C)C(C(=O)C)C(=O)NO

InChI

InChI=1S/C18H31NO5S2/c1-11(2)8-16(17(12(3)20)18(23)19-24)7-6-15(9-25-13(4)21)10-26-14(5)22/h11,15-17,24H,6-10H2,1-5H3,(H,19,23)/t16-,17?/m1/s1