1-(2-acetamido-3-methyl-3-sulfanyl-butanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(2-acetamido-3-methyl-3-sulfanyl-butanoyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-(2-acetamido-3-methyl-3-sulfanyl-butanoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-(2-acetamido-3-mercapto-3-methyl-1-oxobutyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-acetamido-3-methyl-3-sulfanylbutanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(2-acetamido-3-mercapto-3-methyl-butanoyl)proline Formula: C12H20N2O4S MolecularWeight: 288.3632

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C(=O)N1CCCC1C(=O)O)C(C)(C)S

Isomeric SMILES

CC(=O)NC(C(=O)N1CCCC1C(=O)O)C(C)(C)S

InChI

InChI=1S/C12H20N2O4S/c1-7(15)13-9(12(2,3)19)10(16)14-6-4-5-8(14)11(17)18/h8-9,19H,4-6H2,1-3H3,(H,13,15)(H,17,18)