2-[5-(3-azanylisoquinolin-1-yl)pentanoyl-methyl-amino]-3-(6-methoxypyridin-3-yl)propanoic acid

Systemtic Name: 2-[5-(3-azanylisoquinolin-1-yl)pentanoyl-methyl-amino]-3-(6-methoxypyridin-3-yl)propanoic acid Openeye Name: 2-[5-(3-amino-1-isoquinolyl)pentanoyl-methyl-amino]-3-(6-methoxy-3-pyridyl)propanoic acid CAS Name: 2-[[5-(3-amino-1-isoquinolinyl)-1-oxopentyl]-methylamino]-3-(6-methoxy-3-pyridinyl)propanoic acid IUPAC Name: 2-[5-(3-aminoisoquinolin-1-yl)pentanoyl-methylamino]-3-(6-methoxypyridin-3-yl)propanoic acid Traditional Name: 2-[5-(3-amino-1-isoquinolyl)pentanoyl-methyl-amino]-3-(6-methoxy-3-pyridyl)propionic acid Formula: C24H28N4O4 MolecularWeight: 436.50352

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CN=C(C=C1)OC)C(=O)O)C(=O)CCCCC2=NC(=CC3=CC=CC=C32)N

Isomeric SMILES

CN(C(CC1=CN=C(C=C1)OC)C(=O)O)C(=O)CCCCC2=NC(=CC3=CC=CC=C32)N

InChI

InChI=1S/C24H28N4O4/c1-28(20(24(30)31)13-16-11-12-22(32-2)26-15-16)23(29)10-6-5-9-19-18-8-4-3-7-17(18)14-21(25)27-19/h3-4,7-8,11-12,14-15,20H,5-6,9-10,13H2,1-2H3,(H2,25,27)(H,30,31)