2-[(4-carboxyphenyl)carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylic acid

Systemtic Name: 2-[(4-carboxyphenyl)carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylic acid Openeye Name: 2-[(4-carboxyphenyl)carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylic acid CAS Name: 2-[(4-carboxyanilino)-oxomethyl]-4-mercapto-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[(4-carboxyphenyl)carbamoyl]-4-sulfanylpyrrolidine-1-carboxylic acid Traditional Name: 2-[(4-carboxyphenyl)carbamoyl]-4-mercapto-pyrrolidine-1-carboxylic acid Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NC2=CC=C(C=C2)C(=O)O)C(=O)O)S

Isomeric SMILES

C1C(CN(C1C(=O)NC2=CC=C(C=C2)C(=O)O)C(=O)O)S

InChI

InChI=1S/C13H14N2O5S/c16-11(10-5-9(21)6-15(10)13(19)20)14-8-3-1-7(2-4-8)12(17)18/h1-4,9-10,21H,5-6H2,(H,14,16)(H,17,18)(H,19,20)