4-[2-[(5-carbamimidoylindol-1-yl)methyl]-5-(pyridin-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxylic acid

Systemtic Name: 4-[2-[(5-carbamimidoylindol-1-yl)methyl]-5-(pyridin-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxylic acid Openeye Name: 4-[2-[(5-carbamimidoylindol-1-yl)methyl]-5-(2-pyridylmethylcarbamoyl)phenyl]pyridine-3-carboxylic acid CAS Name: 4-[2-[(5-carbamimidoyl-1-indolyl)methyl]-5-[oxo-(2-pyridinylmethylamino)methyl]phenyl]-3-pyridinecarboxylic acid IUPAC Name: 4-[2-[(5-carbamimidoylindol-1-yl)methyl]-5-(pyridin-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxylic acid Traditional Name: 4-[2-[(5-amidinoindol-1-yl)methyl]-5-(2-pyridylmethylcarbamoyl)phenyl]nicotinic acid Formula: C29H24N6O3 MolecularWeight: 504.53926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CNC(=O)C2=CC(=C(C=C2)CN3C=CC4=C3C=CC(=C4)C(=N)N)C5=C(C=NC=C5)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)CNC(=O)C2=CC(=C(C=C2)CN3C=CC4=C3C=CC(=C4)C(=N)N)C5=C(C=NC=C5)C(=O)O

InChI

InChI=1S/C29H24N6O3/c30-27(31)19-6-7-26-18(13-19)9-12-35(26)17-21-5-4-20(28(36)34-15-22-3-1-2-10-33-22)14-24(21)23-8-11-32-16-25(23)29(37)38/h1-14,16H,15,17H2,(H3,30,31)(H,34,36)(H,37,38)