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

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-1-pyridin-3-yl-benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-1-(3-pyridyl)benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-(3-pyridinyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-1-pyridin-3-ylbenzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-1-(3-pyridyl)benzimidazole-5-carbonyl]amino]propionic acid Formula: C23H20N6O3 MolecularWeight: 428.4433

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)N2C3=C(C=C(C=C3)C(=O)NCCC(=O)O)N=C2C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1=CC(=CN=C1)N2C3=C(C=C(C=C3)C(=O)NCCC(=O)O)N=C2C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C23H20N6O3/c24-21(25)14-3-5-15(6-4-14)22-28-18-12-16(23(32)27-11-9-20(30)31)7-8-19(18)29(22)17-2-1-10-26-13-17/h1-8,10,12-13H,9,11H2,(H3,24,25)(H,27,32)(H,30,31)