4-[[4-[[4-(isoquinolin-3-ylcarbonylamino)-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrole-2-carboxylic acid

Systemtic Name: 4-[[4-[[4-(isoquinolin-3-ylcarbonylamino)-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 4-[[4-[[4-(isoquinoline-3-carbonylamino)-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carboxylic acid CAS Name: 4-[[[4-[[[4-[[3-isoquinolinyl(oxo)methyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 4-[[4-[[4-(isoquinoline-3-carbonylamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid Traditional Name: 4-[[4-[[4-(isoquinoline-3-carbonylamino)-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carboxylic acid Formula: C28H25N7O5 MolecularWeight: 539.542

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)O)C)C)NC(=O)C4=CC5=CC=CC=C5C=N4

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)O)C)C)NC(=O)C4=CC5=CC=CC=C5C=N4

InChI

InChI=1S/C28H25N7O5/c1-33-13-18(30-25(36)21-8-16-6-4-5-7-17(16)12-29-21)9-22(33)26(37)31-19-10-23(34(2)14-19)27(38)32-20-11-24(28(39)40)35(3)15-20/h4-15H,1-3H3,(H,30,36)(H,31,37)(H,32,38)(H,39,40)