5-(1-azanylisoquinolin-7-yl)oxy-4-[(4-pyrrolidin-1-ylcarbonylphenyl)carbonylamino]pentanoic acid

Systemtic Name: 5-(1-azanylisoquinolin-7-yl)oxy-4-[(4-pyrrolidin-1-ylcarbonylphenyl)carbonylamino]pentanoic acid Openeye Name: 5-[(1-amino-7-isoquinolyl)oxy]-4-[[4-(pyrrolidine-1-carbonyl)benzoyl]amino]pentanoic acid CAS Name: 5-[(1-amino-7-isoquinolinyl)oxy]-4-[[oxo-[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl]amino]pentanoic acid IUPAC Name: 5-(1-aminoisoquinolin-7-yl)oxy-4-[[4-(pyrrolidine-1-carbonyl)benzoyl]amino]pentanoic acid Traditional Name: 5-[(1-amino-7-isoquinolyl)oxy]-4-[[4-(pyrrolidine-1-carbonyl)benzoyl]amino]valeric acid Formula: C26H28N4O5 MolecularWeight: 476.52432

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)C(=O)NC(CCC(=O)O)COC3=CC4=C(C=C3)C=CN=C4N

Isomeric SMILES

C1CCN(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/C26H28N4O5/c27-24-22-15-21(9-7-17(22)11-12-28-24)35-16-20(8-10-23(31)32)29-25(33)18-3-5-19(6-4-18)26(34)30-13-1-2-14-30/h3-7,9,11-12,15,20H,1-2,8,10,13-14,16H2,(H2,27,28)(H,29,33)(H,31,32)