2-[(4-carboxyphenyl)carbamoyl]-5-(2-cyanopyrrolidin-1-yl)carbonyl-pyrrolidine-1-carboxylic acid

Systemtic Name: 2-[(4-carboxyphenyl)carbamoyl]-5-(2-cyanopyrrolidin-1-yl)carbonyl-pyrrolidine-1-carboxylic acid Openeye Name: 2-[(4-carboxyphenyl)carbamoyl]-5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidine-1-carboxylic acid CAS Name: 2-[(4-carboxyanilino)-oxomethyl]-5-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[(4-carboxyphenyl)carbamoyl]-5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidine-1-carboxylic acid Traditional Name: 2-[(4-carboxyphenyl)carbamoyl]-5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidine-1-carboxylic acid Formula: C19H20N4O6 MolecularWeight: 400.3853

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CCC(N2C(=O)O)C(=O)NC3=CC=C(C=C3)C(=O)O)C#N

Isomeric SMILES

C1CC(N(C1)C(=O)C2CCC(N2C(=O)O)C(=O)NC3=CC=C(C=C3)C(=O)O)C#N

InChI

InChI=1S/C19H20N4O6/c20-10-13-2-1-9-22(13)17(25)15-8-7-14(23(15)19(28)29)16(24)21-12-5-3-11(4-6-12)18(26)27/h3-6,13-15H,1-2,7-9H2,(H,21,24)(H,26,27)(H,28,29)