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

Systemtic Name: 5-(1-azanylisoquinolin-7-yl)oxy-4-[[4-(N,N-dimethylcarbamimidoyl)phenyl]carbonylamino]pentanoic acid Openeye Name: 5-[(1-amino-7-isoquinolyl)oxy]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]pentanoic acid CAS Name: 5-[(1-amino-7-isoquinolinyl)oxy]-4-[[[4-[dimethylamino(imino)methyl]phenyl]-oxomethyl]amino]pentanoic acid IUPAC Name: 5-(1-aminoisoquinolin-7-yl)oxy-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]pentanoic acid Traditional Name: 5-[(1-amino-7-isoquinolyl)oxy]-4-[[4-(N,N-dimethylamidino)benzoyl]amino]valeric acid Formula: C24H27N5O4 MolecularWeight: 449.50228

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=N)C1=CC=C(C=C1)C(=O)NC(CCC(=O)O)COC2=CC3=C(C=C2)C=CN=C3N

Isomeric SMILES

CN(C)C(=N)C1=CC=C(C=C1)C(=O)NC(CCC(=O)O)COC2=CC3=C(C=C2)C=CN=C3N

InChI

InChI=1S/C24H27N5O4/c1-29(2)23(26)16-3-5-17(6-4-16)24(32)28-18(8-10-21(30)31)14-33-19-9-7-15-11-12-27-22(25)20(15)13-19/h3-7,9,11-13,18,26H,8,10,14H2,1-2H3,(H2,25,27)(H,28,32)(H,30,31)