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

Systemtic Name: 3-[2-[[(4-carbamimidoylphenyl)amino]methyl]-4-ethenyl-phenyl]-6-(2-methylpropylcarbamoyl)pyridine-2-carboxylic acid Openeye Name: 3-[2-[(4-carbamimidoylanilino)methyl]-4-vinyl-phenyl]-6-(isobutylcarbamoyl)pyridine-2-carboxylic acid CAS Name: 3-[2-[(4-carbamimidoylanilino)methyl]-4-ethenylphenyl]-6-[(2-methylpropylamino)-oxomethyl]-2-pyridinecarboxylic acid IUPAC Name: 3-[2-[(4-carbamimidoylanilino)methyl]-4-ethenylphenyl]-6-(2-methylpropylcarbamoyl)pyridine-2-carboxylic acid Traditional Name: 3-[2-[(4-amidinoanilino)methyl]-4-vinyl-phenyl]-6-(isobutylcarbamoyl)picolinic acid Formula: C27H29N5O3 MolecularWeight: 471.55086

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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=CC=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=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C27H29N5O3/c1-4-17-5-10-21(19(13-17)15-30-20-8-6-18(7-9-20)25(28)29)22-11-12-23(32-24(22)27(34)35)26(33)31-14-16(2)3/h4-13,16,30H,1,14-15H2,2-3H3,(H3,28,29)(H,31,33)(H,34,35)