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

Systemtic Name: 1-[3-methyl-2-(3-oxidanylidenebutanethioylamino)butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-methyl-2-(3-oxobutanethioylamino)butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-methyl-1-oxo-2-[(3-oxo-1-sulfanylidenebutyl)amino]butyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-methyl-2-(3-oxobutanethioylamino)butanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(3-ketobutanethioylamino)-3-methyl-butanoyl]proline Formula: C14H22N2O4S MolecularWeight: 314.40048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O4S/c1-8(2)12(15-11(21)7-9(3)17)13(18)16-6-4-5-10(16)14(19)20/h8,10,12H,4-7H2,1-3H3,(H,15,21)(H,19,20)