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

Systemtic Name: 2-[2-[[(5-carbamimidoylpyridin-2-yl)amino]methyl]-4-ethyl-phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Openeye Name: 2-[2-[[(5-carbamimidoyl-2-pyridyl)amino]methyl]-4-ethyl-phenyl]-5-(isobutylcarbamoyl)benzoic acid CAS Name: 2-[2-[[(5-carbamimidoyl-2-pyridinyl)amino]methyl]-4-ethylphenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-[[(5-carbamimidoylpyridin-2-yl)amino]methyl]-4-ethylphenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Traditional Name: 2-[2-[[(5-amidino-2-pyridyl)amino]methyl]-4-ethyl-phenyl]-5-(isobutylcarbamoyl)benzoic acid Formula: C27H31N5O3 MolecularWeight: 473.56674

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)C2=C(C=C(C=C2)C(=O)NCC(C)C)C(=O)O)CNC3=NC=C(C=C3)C(=N)N

Isomeric SMILES

CCC1=CC(=C(C=C1)C2=C(C=C(C=C2)C(=O)NCC(C)C)C(=O)O)CNC3=NC=C(C=C3)C(=N)N

InChI

InChI=1S/C27H31N5O3/c1-4-17-5-8-21(20(11-17)15-31-24-10-7-19(14-30-24)25(28)29)22-9-6-18(12-23(22)27(34)35)26(33)32-13-16(2)3/h5-12,14,16H,4,13,15H2,1-3H3,(H3,28,29)(H,30,31)(H,32,33)(H,34,35)