1-phenylmethoxycarbonyl-2-pyrrolidin-2-ylcarbonylsulfanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-phenylmethoxycarbonyl-2-pyrrolidin-2-ylcarbonylsulfanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-benzyloxycarbonyl-2-(pyrrolidine-2-carbonylsulfanyl)pyrrolidine-2-carboxylic acid CAS Name: 2-[[oxo(2-pyrrolidinyl)methyl]thio]-1-phenylmethoxycarbonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-phenylmethoxycarbonyl-2-(pyrrolidine-2-carbonylsulfanyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-carbobenzoxy-2-(prolylthio)proline Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)SC2(CCCN2C(=O)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(NC1)C(=O)SC2(CCCN2C(=O)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H22N2O5S/c21-15(14-8-4-10-19-14)26-18(16(22)23)9-5-11-20(18)17(24)25-12-13-6-2-1-3-7-13/h1-3,6-7,14,19H,4-5,8-12H2,(H,22,23)