1-(2-methyl-3-sulfanyl-propanoyl)-4-(propylcarbamoyloxy)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(2-methyl-3-sulfanyl-propanoyl)-4-(propylcarbamoyloxy)pyrrolidine-2-carboxylic acid Openeye Name: 1-(2-methyl-3-sulfanyl-propanoyl)-4-(propylcarbamoyloxy)pyrrolidine-2-carboxylic acid CAS Name: 1-(3-mercapto-2-methyl-1-oxopropyl)-4-[oxo(propylamino)methoxy]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-methyl-3-sulfanylpropanoyl)-4-(propylcarbamoyloxy)pyrrolidine-2-carboxylic acid Traditional Name: 1-(3-mercapto-2-methyl-propanoyl)-4-(propylcarbamoyloxy)proline Formula: C13H22N2O5S MolecularWeight: 318.38918

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)OC1CC(N(C1)C(=O)C(C)CS)C(=O)O

Isomeric SMILES

CCCNC(=O)OC1CC(N(C1)C(=O)C(C)CS)C(=O)O

InChI

InChI=1S/C13H22N2O5S/c1-3-4-14-13(19)20-9-5-10(12(17)18)15(6-9)11(16)8(2)7-21/h8-10,21H,3-7H2,1-2H3,(H,14,19)(H,17,18)