3-[2-[[(5-carbamimidoylpyridin-2-yl)amino]methyl]-4-ethenyl-phenyl]-6-(2-methylpropylcarbamoyl)pyridine-2-carboxylic acid

Systemtic Name: 3-[2-[[(5-carbamimidoylpyridin-2-yl)amino]methyl]-4-ethenyl-phenyl]-6-(2-methylpropylcarbamoyl)pyridine-2-carboxylic acid Openeye Name: 3-[2-[[(5-carbamimidoyl-2-pyridyl)amino]methyl]-4-vinyl-phenyl]-6-(isobutylcarbamoyl)pyridine-2-carboxylic acid CAS Name: 3-[2-[[(5-carbamimidoyl-2-pyridinyl)amino]methyl]-4-ethenylphenyl]-6-[(2-methylpropylamino)-oxomethyl]-2-pyridinecarboxylic acid IUPAC Name: 3-[2-[[(5-carbamimidoylpyridin-2-yl)amino]methyl]-4-ethenylphenyl]-6-(2-methylpropylcarbamoyl)pyridine-2-carboxylic acid Traditional Name: 3-[2-[[(5-amidino-2-pyridyl)amino]methyl]-4-vinyl-phenyl]-6-(isobutylcarbamoyl)picolinic acid Formula: C26H28N6O3 MolecularWeight: 472.53892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=NC(=C(C=C1)C2=C(C=C(C=C2)C=C)CNC3=NC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)C1=NC(=C(C=C1)C2=C(C=C(C=C2)C=C)CNC3=NC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C26H28N6O3/c1-4-16-5-7-19(18(11-16)14-30-22-10-6-17(13-29-22)24(27)28)20-8-9-21(32-23(20)26(34)35)25(33)31-12-15(2)3/h4-11,13,15H,1,12,14H2,2-3H3,(H3,27,28)(H,29,30)(H,31,33)(H,34,35)