4-[2-cyclohexylethylcarbamoyl(2-ethanoylsulfanylethyl)amino]oxy-2,3-bis(oxidanyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-cyclohexylethylcarbamoyl(2-ethanoylsulfanylethyl)amino]oxy-2,3-bis(oxidanyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-acetylsulfanylethyl(2-cyclohexylethylcarbamoyl)amino]oxy-2,3-dihydroxy-4-oxo-butanoic acid CAS Name: 4-[2-(acetylthio)ethyl-[(2-cyclohexylethylamino)-oxomethyl]amino]oxy-2,3-dihydroxy-4-oxobutanoic acid IUPAC Name: 4-[2-acetylsulfanylethyl(2-cyclohexylethylcarbamoyl)amino]oxy-2,3-dihydroxy-4-oxobutanoic acid Traditional Name: 4-[2-(acetylthio)ethyl-(2-cyclohexylethylcarbamoyl)amino]oxy-2,3-dihydroxy-4-keto-butyric acid Formula: C17H28N2O8S MolecularWeight: 420.47782

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(C(=O)NCCC1CCCCC1)OC(=O)C(C(C(=O)O)O)O

Isomeric SMILES

CC(=O)SCCN(C(=O)NCCC1CCCCC1)OC(=O)C(C(C(=O)O)O)O

InChI

InChI=1S/C17H28N2O8S/c1-11(20)28-10-9-19(27-16(25)14(22)13(21)15(23)24)17(26)18-8-7-12-5-3-2-4-6-12/h12-14,21-22H,2-10H2,1H3,(H,18,26)(H,23,24)