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

Systemtic Name: 1-(2-methyl-3-sulfanyl-propanoyl)-4-(prop-2-enylcarbamoyloxy)pyrrolidine-2-carboxylic acid Openeye Name: 4-(allylcarbamoyloxy)-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-(3-mercapto-2-methyl-1-oxopropyl)-4-[oxo-(prop-2-enylamino)methoxy]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-methyl-3-sulfanylpropanoyl)-4-(prop-2-enylcarbamoyloxy)pyrrolidine-2-carboxylic acid Traditional Name: 4-(allylcarbamoyloxy)-1-(3-mercapto-2-methyl-propanoyl)proline Formula: C13H20N2O5S MolecularWeight: 316.3733

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1CC(CC1C(=O)O)OC(=O)NCC=C

Isomeric SMILES

CC(CS)C(=O)N1CC(CC1C(=O)O)OC(=O)NCC=C

InChI

InChI=1S/C13H20N2O5S/c1-3-4-14-13(19)20-9-5-10(12(17)18)15(6-9)11(16)8(2)7-21/h3,8-10,21H,1,4-7H2,2H3,(H,14,19)(H,17,18)