9-[2-(tert-butylcarbamoyl)phenyl]-8-oxidanyl-5-oxidanylidene-7-(pyridin-3-ylmethyl)-4-(quinolin-2-ylcarbonylamino)nonanoic acid

Systemtic Name: 9-[2-(tert-butylcarbamoyl)phenyl]-8-oxidanyl-5-oxidanylidene-7-(pyridin-3-ylmethyl)-4-(quinolin-2-ylcarbonylamino)nonanoic acid Openeye Name: 9-[2-(tert-butylcarbamoyl)phenyl]-8-hydroxy-5-oxo-7-(3-pyridylmethyl)-4-(quinoline-2-carbonylamino)nonanoic acid CAS Name: 9-[2-[(tert-butylamino)-oxomethyl]phenyl]-8-hydroxy-5-oxo-4-[[oxo(2-quinolinyl)methyl]amino]-7-(3-pyridinylmethyl)nonanoic acid IUPAC Name: 9-[2-(tert-butylcarbamoyl)phenyl]-8-hydroxy-5-oxo-7-(pyridin-3-ylmethyl)-4-(quinoline-2-carbonylamino)nonanoic acid Traditional Name: 9-[2-(tert-butylcarbamoyl)phenyl]-8-hydroxy-5-keto-7-(3-pyridylmethyl)-4-(quinaldoylamino)pelargonic acid Formula: C36H40N4O6 MolecularWeight: 624.726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=CC=C1CC(C(CC2=CN=CC=C2)CC(=O)C(CCC(=O)O)NC(=O)C3=NC4=CC=CC=C4C=C3)O

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=CC=C1CC(C(CC2=CN=CC=C2)CC(=O)C(CCC(=O)O)NC(=O)C3=NC4=CC=CC=C4C=C3)O

InChI

InChI=1S/C36H40N4O6/c1-36(2,3)40-34(45)27-12-6-4-11-25(27)20-31(41)26(19-23-9-8-18-37-22-23)21-32(42)29(16-17-33(43)44)39-35(46)30-15-14-24-10-5-7-13-28(24)38-30/h4-15,18,22,26,29,31,41H,16-17,19-21H2,1-3H3,(H,39,46)(H,40,45)(H,43,44)