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

Systemtic Name: 3-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-phenylmethoxy-phenyl]-6-(2-methylpropylcarbamoyl)pyridine-2-carboxylic acid Openeye Name: 3-[4-benzyloxy-2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-6-(isobutylcarbamoyl)pyridine-2-carboxylic acid CAS Name: 3-[2-[(4-carbamimidoylanilino)-oxomethyl]-4-phenylmethoxyphenyl]-6-[(2-methylpropylamino)-oxomethyl]-2-pyridinecarboxylic acid IUPAC Name: 3-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-phenylmethoxyphenyl]-6-(2-methylpropylcarbamoyl)pyridine-2-carboxylic acid Traditional Name: 3-[2-[(4-amidinophenyl)carbamoyl]-4-benzoxy-phenyl]-6-(isobutylcarbamoyl)picolinic acid Formula: C32H31N5O5 MolecularWeight: 565.61904

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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)OCC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)C1=NC(=C(C=C1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C32H31N5O5/c1-19(2)17-35-31(39)27-15-14-25(28(37-27)32(40)41)24-13-12-23(42-18-20-6-4-3-5-7-20)16-26(24)30(38)36-22-10-8-21(9-11-22)29(33)34/h3-16,19H,17-18H2,1-2H3,(H3,33,34)(H,35,39)(H,36,38)(H,40,41)