1-(3-ethanoylsulfanylbutanoyl)-4,4-dimethoxy-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(3-ethanoylsulfanylbutanoyl)-4,4-dimethoxy-pyrrolidine-2-carboxylic acid Openeye Name: 1-(3-acetylsulfanylbutanoyl)-4,4-dimethoxy-pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-1-oxobutyl]-4,4-dimethoxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3-acetylsulfanylbutanoyl)-4,4-dimethoxypyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)butanoyl]-4,4-dimethoxy-proline Formula: C13H21NO6S MolecularWeight: 319.37394

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CC(CC1C(=O)O)(OC)OC)SC(=O)C

Isomeric SMILES

CC(CC(=O)N1CC(CC1C(=O)O)(OC)OC)SC(=O)C

InChI

InChI=1S/C13H21NO6S/c1-8(21-9(2)15)5-11(16)14-7-13(19-3,20-4)6-10(14)12(17)18/h8,10H,5-7H2,1-4H3,(H,17,18)