5-(carboxymethyl)-1-(3-ethanoylsulfanyl-2-methyl-propanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 5-(carboxymethyl)-1-(3-ethanoylsulfanyl-2-methyl-propanoyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-(3-acetylsulfanyl-2-methyl-propanoyl)-5-(carboxymethyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-2-methyl-1-oxopropyl]-5-(carboxymethyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3-acetylsulfanyl-2-methylpropanoyl)-5-(carboxymethyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)-2-methyl-propanoyl]-5-(carboxymethyl)proline Formula: C13H19NO6S MolecularWeight: 317.35806

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1C(CCC1C(=O)O)CC(=O)O

Isomeric SMILES

CC(CSC(=O)C)C(=O)N1C(CCC1C(=O)O)CC(=O)O

InChI

InChI=1S/C13H19NO6S/c1-7(6-21-8(2)15)12(18)14-9(5-11(16)17)3-4-10(14)13(19)20/h7,9-10H,3-6H2,1-2H3,(H,16,17)(H,19,20)