1-(4-ethanoylsulfanylbutanoyl)-4-(methylcarbamoyloxy)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(4-ethanoylsulfanylbutanoyl)-4-(methylcarbamoyloxy)pyrrolidine-2-carboxylic acid Openeye Name: 1-(4-acetylsulfanylbutanoyl)-4-(methylcarbamoyloxy)pyrrolidine-2-carboxylic acid CAS Name: 1-[4-(acetylthio)-1-oxobutyl]-4-(methylcarbamoyloxy)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(4-acetylsulfanylbutanoyl)-4-(methylcarbamoyloxy)pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-(acetylthio)butanoyl]-4-(methylcarbamoyloxy)proline Formula: C13H20N2O6S MolecularWeight: 332.3727

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCC(=O)N1CC(CC1C(=O)O)OC(=O)NC

Isomeric SMILES

CC(=O)SCCCC(=O)N1CC(CC1C(=O)O)OC(=O)NC

InChI

InChI=1S/C13H20N2O6S/c1-8(16)22-5-3-4-11(17)15-7-9(21-13(20)14-2)6-10(15)12(18)19/h9-10H,3-7H2,1-2H3,(H,14,20)(H,18,19)