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

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-1-(3-imidazol-1-ylpropyl)benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-1-(3-imidazol-1-ylpropyl)benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-[3-(1-imidazolyl)propyl]-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-1-(3-imidazol-1-ylpropyl)benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-1-(3-imidazol-1-ylpropyl)benzimidazole-5-carbonyl]amino]propionic acid Formula: C24H25N7O3 MolecularWeight: 459.5004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(N2CCCN4C=CN=C4)C=CC(=C3)C(=O)NCCC(=O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(N2CCCN4C=CN=C4)C=CC(=C3)C(=O)NCCC(=O)O)C(=N)N

InChI

InChI=1S/C24H25N7O3/c25-22(26)16-2-4-17(5-3-16)23-29-19-14-18(24(34)28-9-8-21(32)33)6-7-20(19)31(23)12-1-11-30-13-10-27-15-30/h2-7,10,13-15H,1,8-9,11-12H2,(H3,25,26)(H,28,34)(H,32,33)