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

Systemtic Name: 2-[2-[[(5-carbamimidoylpyridin-2-yl)amino]methyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Openeye Name: 2-[2-[[(5-carbamimidoyl-2-pyridyl)amino]methyl]phenyl]-5-(isobutylcarbamoyl)benzoic acid CAS Name: 2-[2-[[(5-carbamimidoyl-2-pyridinyl)amino]methyl]phenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-[[(5-carbamimidoylpyridin-2-yl)amino]methyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Traditional Name: 2-[2-[[(5-amidino-2-pyridyl)amino]methyl]phenyl]-5-(isobutylcarbamoyl)benzoic acid Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2CNC3=NC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2CNC3=NC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C25H27N5O3/c1-15(2)12-30-24(31)16-7-9-20(21(11-16)25(32)33)19-6-4-3-5-17(19)13-28-22-10-8-18(14-29-22)23(26)27/h3-11,14-15H,12-13H2,1-2H3,(H3,26,27)(H,28,29)(H,30,31)(H,32,33)