8-[2-(tert-butylcarbamoyl)phenyl]-7-oxidanyl-4-oxidanylidene-6-(pyridin-3-ylmethyl)-3-(quinolin-2-ylcarbonylamino)octanoic acid

Systemtic Name: 8-[2-(tert-butylcarbamoyl)phenyl]-7-oxidanyl-4-oxidanylidene-6-(pyridin-3-ylmethyl)-3-(quinolin-2-ylcarbonylamino)octanoic acid Openeye Name: 8-[2-(tert-butylcarbamoyl)phenyl]-7-hydroxy-4-oxo-6-(3-pyridylmethyl)-3-(quinoline-2-carbonylamino)octanoic acid CAS Name: 8-[2-[(tert-butylamino)-oxomethyl]phenyl]-7-hydroxy-4-oxo-3-[[oxo(2-quinolinyl)methyl]amino]-6-(3-pyridinylmethyl)octanoic acid IUPAC Name: 8-[2-(tert-butylcarbamoyl)phenyl]-7-hydroxy-4-oxo-6-(pyridin-3-ylmethyl)-3-(quinoline-2-carbonylamino)octanoic acid Traditional Name: 8-[2-(tert-butylcarbamoyl)phenyl]-7-hydroxy-4-keto-6-(3-pyridylmethyl)-3-(quinaldoylamino)caprylic acid Formula: C35H38N4O6 MolecularWeight: 610.69942

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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(CC(=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(CC(=O)O)NC(=O)C3=NC4=CC=CC=C4C=C3)O

InChI

InChI=1S/C35H38N4O6/c1-35(2,3)39-33(44)26-12-6-4-11-24(26)18-30(40)25(17-22-9-8-16-36-21-22)19-31(41)29(20-32(42)43)38-34(45)28-15-14-23-10-5-7-13-27(23)37-28/h4-16,21,25,29-30,40H,17-20H2,1-3H3,(H,38,45)(H,39,44)(H,42,43)