3-[[2-(4-carbamimidoylphenyl)-1-(pyridin-4-ylmethyl)benzimidazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-1-(pyridin-4-ylmethyl)benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-1-(4-pyridylmethyl)benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-(pyridin-4-ylmethyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-1-(pyridin-4-ylmethyl)benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-1-(4-pyridylmethyl)benzimidazole-5-carbonyl]amino]propionic acid Formula: C24H22N6O3 MolecularWeight: 442.46988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(N2CC4=CC=NC=C4)C=CC(=C3)C(=O)NCCC(=O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(N2CC4=CC=NC=C4)C=CC(=C3)C(=O)NCCC(=O)O)C(=N)N

InChI

InChI=1S/C24H22N6O3/c25-22(26)16-1-3-17(4-2-16)23-29-19-13-18(24(33)28-12-9-21(31)32)5-6-20(19)30(23)14-15-7-10-27-11-8-15/h1-8,10-11,13H,9,12,14H2,(H3,25,26)(H,28,33)(H,31,32)