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

Systemtic Name: 1-(2-methyl-3-sulfanyl-propanoyl)-4-(phenylcarbamoyloxy)pyrrolidine-2-carboxylic acid Openeye Name: 1-(2-methyl-3-sulfanyl-propanoyl)-4-(phenylcarbamoyloxy)pyrrolidine-2-carboxylic acid CAS Name: 4-[anilino(oxo)methoxy]-1-(3-mercapto-2-methyl-1-oxopropyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-methyl-3-sulfanylpropanoyl)-4-(phenylcarbamoyloxy)pyrrolidine-2-carboxylic acid Traditional Name: 1-(3-mercapto-2-methyl-propanoyl)-4-(phenylcarbamoyloxy)proline Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1CC(CC1C(=O)O)OC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(CS)C(=O)N1CC(CC1C(=O)O)OC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C16H20N2O5S/c1-10(9-24)14(19)18-8-12(7-13(18)15(20)21)23-16(22)17-11-5-3-2-4-6-11/h2-6,10,12-13,24H,7-9H2,1H3,(H,17,22)(H,20,21)