1-[3-methyl-2-(2-sulfanylethanoylamino)butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-methyl-2-(2-sulfanylethanoylamino)butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-methyl-2-[(2-sulfanylacetyl)amino]butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(2-mercapto-1-oxoethyl)amino]-3-methyl-1-oxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-methyl-2-[(2-sulfanylacetyl)amino]butanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(2-mercaptoacetyl)amino]-3-methyl-butanoyl]proline Formula: C12H20N2O4S MolecularWeight: 288.3632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N2O4S/c1-7(2)10(13-9(15)6-19)11(16)14-5-3-4-8(14)12(17)18/h7-8,10,19H,3-6H2,1-2H3,(H,13,15)(H,17,18)