1-(3-ethanoylsulfanyl-2-methyl-butanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(3-ethanoylsulfanyl-2-methyl-butanoyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-(3-acetylsulfanyl-2-methyl-butanoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-2-methyl-1-oxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3-acetylsulfanyl-2-methylbutanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)-2-methyl-butanoyl]proline Formula: C12H19NO4S MolecularWeight: 273.34856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)SC(=O)C)C(=O)N1CCCC1C(=O)O

Isomeric SMILES

CC(C(C)SC(=O)C)C(=O)N1CCCC1C(=O)O

InChI

InChI=1S/C12H19NO4S/c1-7(8(2)18-9(3)14)11(15)13-6-4-5-10(13)12(16)17/h7-8,10H,4-6H2,1-3H3,(H,16,17)