3-[2-[(3-carbamimidoylphenyl)methylcarbamoyl]-4-ethenyl-phenyl]-6-(propylcarbamoyl)pyridine-2-carboxylic acid

Systemtic Name: 3-[2-[(3-carbamimidoylphenyl)methylcarbamoyl]-4-ethenyl-phenyl]-6-(propylcarbamoyl)pyridine-2-carboxylic acid Openeye Name: 3-[2-[(3-carbamimidoylphenyl)methylcarbamoyl]-4-vinyl-phenyl]-6-(propylcarbamoyl)pyridine-2-carboxylic acid CAS Name: 3-[2-[[(3-carbamimidoylphenyl)methylamino]-oxomethyl]-4-ethenylphenyl]-6-[oxo(propylamino)methyl]-2-pyridinecarboxylic acid IUPAC Name: 3-[2-[(3-carbamimidoylphenyl)methylcarbamoyl]-4-ethenylphenyl]-6-(propylcarbamoyl)pyridine-2-carboxylic acid Traditional Name: 3-[2-[(3-amidinobenzyl)carbamoyl]-4-vinyl-phenyl]-6-(propylcarbamoyl)picolinic acid Formula: C27H27N5O4 MolecularWeight: 485.53438

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=NC(=C(C=C1)C2=C(C=C(C=C2)C=C)C(=O)NCC3=CC=CC(=C3)C(=N)N)C(=O)O

Isomeric SMILES

CCCNC(=O)C1=NC(=C(C=C1)C2=C(C=C(C=C2)C=C)C(=O)NCC3=CC=CC(=C3)C(=N)N)C(=O)O

InChI

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