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

Systemtic Name: 3-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-phenyl]-6-(2-methylpropylcarbamoyl)pyridine-2-carboxylic acid Openeye Name: 3-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-vinyl-phenyl]-6-(isobutylcarbamoyl)pyridine-2-carboxylic acid CAS Name: 3-[2-[(4-carbamimidoylanilino)-oxomethyl]-4-ethenylphenyl]-6-[(2-methylpropylamino)-oxomethyl]-2-pyridinecarboxylic acid IUPAC Name: 3-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenylphenyl]-6-(2-methylpropylcarbamoyl)pyridine-2-carboxylic acid Traditional Name: 3-[2-[(4-amidinophenyl)carbamoyl]-4-vinyl-phenyl]-6-(isobutylcarbamoyl)picolinic acid Formula: C27H27N5O4 MolecularWeight: 485.53438

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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)C(=O)NC3=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)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C27H27N5O4/c1-4-16-5-10-19(21(13-16)25(33)31-18-8-6-17(7-9-18)24(28)29)20-11-12-22(32-23(20)27(35)36)26(34)30-14-15(2)3/h4-13,15H,1,14H2,2-3H3,(H3,28,29)(H,30,34)(H,31,33)(H,35,36)