3-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-(pyridin-2-ylmethylcarbamoyl)phenyl]-6-methoxy-pyridine-2-carboxylic acid

Systemtic Name: 3-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-(pyridin-2-ylmethylcarbamoyl)phenyl]-6-methoxy-pyridine-2-carboxylic acid Openeye Name: 3-[2-[(5-carbamimidoylindolin-1-yl)methyl]-5-(2-pyridylmethylcarbamoyl)phenyl]-6-methoxy-pyridine-2-carboxylic acid CAS Name: 3-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-[oxo-(2-pyridinylmethylamino)methyl]phenyl]-6-methoxy-2-pyridinecarboxylic acid IUPAC Name: 3-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-(pyridin-2-ylmethylcarbamoyl)phenyl]-6-methoxypyridine-2-carboxylic acid Traditional Name: 3-[2-[(5-amidinoindolin-1-yl)methyl]-5-(2-pyridylmethylcarbamoyl)phenyl]-6-methoxy-picolinic acid Formula: C30H28N6O4 MolecularWeight: 536.58112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=C(C=C1)C2=C(C=CC(=C2)C(=O)NCC3=CC=CC=N3)CN4CCC5=C4C=CC(=C5)C(=N)N)C(=O)O

Isomeric SMILES

COC1=NC(=C(C=C1)C2=C(C=CC(=C2)C(=O)NCC3=CC=CC=N3)CN4CCC5=C4C=CC(=C5)C(=N)N)C(=O)O

InChI

InChI=1S/C30H28N6O4/c1-40-26-10-8-23(27(35-26)30(38)39)24-15-20(29(37)34-16-22-4-2-3-12-33-22)5-6-21(24)17-36-13-11-18-14-19(28(31)32)7-9-25(18)36/h2-10,12,14-15H,11,13,16-17H2,1H3,(H3,31,32)(H,34,37)(H,38,39)