1-[2-(2-cyclopropylethanoylamino)-3-methyl-butanoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yl)oxy-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-(2-cyclopropylethanoylamino)-3-methyl-butanoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yl)oxy-pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(2-cyclopropylacetyl)amino]-3-methyl-butanoyl]-4-[(7-methoxy-2-phenyl-4-quinolyl)oxy]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(2-cyclopropyl-1-oxoethyl)amino]-3-methyl-1-oxobutyl]-4-[(7-methoxy-2-phenyl-4-quinolinyl)oxy]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(2-cyclopropylacetyl)amino]-3-methylbutanoyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(2-cyclopropylacetyl)amino]-3-methyl-butanoyl]-4-[(7-methoxy-2-phenyl-4-quinolyl)oxy]proline Formula: C31H35N3O6 MolecularWeight: 545.6261

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC(CC1C(=O)O)OC2=CC(=NC3=C2C=CC(=C3)OC)C4=CC=CC=C4)NC(=O)CC5CC5

Isomeric SMILES

CC(C)C(C(=O)N1CC(CC1C(=O)O)OC2=CC(=NC3=C2C=CC(=C3)OC)C4=CC=CC=C4)NC(=O)CC5CC5

InChI

InChI=1S/C31H35N3O6/c1-18(2)29(33-28(35)13-19-9-10-19)30(36)34-17-22(15-26(34)31(37)38)40-27-16-24(20-7-5-4-6-8-20)32-25-14-21(39-3)11-12-23(25)27/h4-8,11-12,14,16,18-19,22,26,29H,9-10,13,15,17H2,1-3H3,(H,33,35)(H,37,38)