(2R)-1-[4-[[(phenylmethyl)-quinolin-2-ylcarbonyl-amino]methyl]phenyl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: (2R)-1-[4-[[(phenylmethyl)-quinolin-2-ylcarbonyl-amino]methyl]phenyl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: (2R)-1-[4-[[benzyl(quinoline-2-carbonyl)amino]methyl]benzoyl]pyrrolidine-2-carboxylic acid CAS Name: (2R)-1-[oxo-[4-[[[oxo(2-quinolinyl)methyl]-(phenylmethyl)amino]methyl]phenyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2R)-1-[4-[[benzyl(quinoline-2-carbonyl)amino]methyl]benzoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2R)-1-[4-[[benzyl(quinaldoyl)amino]methyl]benzoyl]proline Formula: C30H27N3O4 MolecularWeight: 493.55308

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=C(C=C2)CN(CC3=CC=CC=C3)C(=O)C4=NC5=CC=CC=C5C=C4)C(=O)O

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)C2=CC=C(C=C2)CN(CC3=CC=CC=C3)C(=O)C4=NC5=CC=CC=C5C=C4)C(=O)O

InChI

InChI=1S/C30H27N3O4/c34-28(33-18-6-11-27(33)30(36)37)24-14-12-22(13-15-24)20-32(19-21-7-2-1-3-8-21)29(35)26-17-16-23-9-4-5-10-25(23)31-26/h1-5,7-10,12-17,27H,6,11,18-20H2,(H,36,37)/t27-/m1/s1