2,4-dimethyl-3-[2-(3-oxidanylidene-3-propoxy-propyl)sulfanylethylcarbamoyl]pentanedioic acid

Systemtic Name: 2,4-dimethyl-3-[2-(3-oxidanylidene-3-propoxy-propyl)sulfanylethylcarbamoyl]pentanedioic acid Openeye Name: 2,4-dimethyl-3-[2-(3-oxo-3-propoxy-propyl)sulfanylethylcarbamoyl]pentanedioic acid CAS Name: 2,4-dimethyl-3-[oxo-[2-[(3-oxo-3-propoxypropyl)thio]ethylamino]methyl]pentanedioic acid IUPAC Name: 2,4-dimethyl-3-[2-(3-oxo-3-propoxypropyl)sulfanylethylcarbamoyl]pentanedioic acid Traditional Name: 3-[2-[(3-keto-3-propoxy-propyl)thio]ethylcarbamoyl]-2,4-dimethyl-glutaric acid Formula: C16H27NO7S MolecularWeight: 377.45308

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCSCCNC(=O)C(C(C)C(=O)O)C(C)C(=O)O

Isomeric SMILES

CCCOC(=O)CCSCCNC(=O)C(C(C)C(=O)O)C(C)C(=O)O

InChI

InChI=1S/C16H27NO7S/c1-4-7-24-12(18)5-8-25-9-6-17-14(19)13(10(2)15(20)21)11(3)16(22)23/h10-11,13H,4-9H2,1-3H3,(H,17,19)(H,20,21)(H,22,23)