5-(1-azanylisoquinolin-7-yl)oxy-4-[[4-(phenylcarbonyl)phenyl]carbonylamino]pentanoic acid

Systemtic Name: 5-(1-azanylisoquinolin-7-yl)oxy-4-[[4-(phenylcarbonyl)phenyl]carbonylamino]pentanoic acid Openeye Name: 5-[(1-amino-7-isoquinolyl)oxy]-4-[(4-benzoylbenzoyl)amino]pentanoic acid CAS Name: 5-[(1-amino-7-isoquinolinyl)oxy]-4-[[(4-benzoylphenyl)-oxomethyl]amino]pentanoic acid IUPAC Name: 5-(1-aminoisoquinolin-7-yl)oxy-4-[(4-benzoylbenzoyl)amino]pentanoic acid Traditional Name: 5-[(1-amino-7-isoquinolyl)oxy]-4-[(4-benzoylbenzoyl)amino]valeric acid Formula: C28H25N3O5 MolecularWeight: 483.5152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)NC(CCC(=O)O)COC3=CC4=C(C=C3)C=CN=C4N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)NC(CCC(=O)O)COC3=CC4=C(C=C3)C=CN=C4N

InChI

InChI=1S/C28H25N3O5/c29-27-24-16-23(12-10-18(24)14-15-30-27)36-17-22(11-13-25(32)33)31-28(35)21-8-6-20(7-9-21)26(34)19-4-2-1-3-5-19/h1-10,12,14-16,22H,11,13,17H2,(H2,29,30)(H,31,35)(H,32,33)