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

Systemtic Name: 2-[2-[[(6-carbamimidoylpyridin-3-yl)amino]methyl]-4-ethenyl-phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Openeye Name: 2-[2-[[(6-carbamimidoyl-3-pyridyl)amino]methyl]-4-vinyl-phenyl]-5-(isobutylcarbamoyl)benzoic acid CAS Name: 2-[2-[[(6-carbamimidoyl-3-pyridinyl)amino]methyl]-4-ethenylphenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-[[(6-carbamimidoylpyridin-3-yl)amino]methyl]-4-ethenylphenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Traditional Name: 2-[2-[[(6-amidino-3-pyridyl)amino]methyl]-4-vinyl-phenyl]-5-(isobutylcarbamoyl)benzoic acid Formula: C27H29N5O3 MolecularWeight: 471.55086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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