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

Systemtic Name: 4-[2-cycloheptylethylcarbamoyl(2-ethanoylsulfanylethyl)amino]oxy-2,3-bis(oxidanyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-acetylsulfanylethyl(2-cycloheptylethylcarbamoyl)amino]oxy-2,3-dihydroxy-4-oxo-butanoic acid CAS Name: 4-[2-(acetylthio)ethyl-[(2-cycloheptylethylamino)-oxomethyl]amino]oxy-2,3-dihydroxy-4-oxobutanoic acid IUPAC Name: 4-[2-acetylsulfanylethyl(2-cycloheptylethylcarbamoyl)amino]oxy-2,3-dihydroxy-4-oxobutanoic acid Traditional Name: 4-[2-(acetylthio)ethyl-(2-cycloheptylethylcarbamoyl)amino]oxy-2,3-dihydroxy-4-keto-butyric acid Formula: C18H30N2O8S MolecularWeight: 434.5044

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(C(=O)NCCC1CCCCCC1)OC(=O)C(C(C(=O)O)O)O

Isomeric SMILES

CC(=O)SCCN(C(=O)NCCC1CCCCCC1)OC(=O)C(C(C(=O)O)O)O

InChI

InChI=1S/C18H30N2O8S/c1-12(21)29-11-10-20(28-17(26)15(23)14(22)16(24)25)18(27)19-9-8-13-6-4-2-3-5-7-13/h13-15,22-23H,2-11H2,1H3,(H,19,27)(H,24,25)