1-[2-(acetyloxymethyl)-3-ethanoylsulfanyl-propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-(acetyloxymethyl)-3-ethanoylsulfanyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(acetoxymethyl)-3-acetylsulfanyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-(acetyloxymethyl)-3-(acetylthio)-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(acetyloxymethyl)-3-acetylsulfanylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(acetoxymethyl)-3-(acetylthio)propanoyl]proline Formula: C13H19NO6S MolecularWeight: 317.35806

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CSC(=O)C)C(=O)N1CCCC1C(=O)O

Isomeric SMILES

CC(=O)OCC(CSC(=O)C)C(=O)N1CCCC1C(=O)O

InChI

InChI=1S/C13H19NO6S/c1-8(15)20-6-10(7-21-9(2)16)12(17)14-5-3-4-11(14)13(18)19/h10-11H,3-7H2,1-2H3,(H,18,19)