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

Systemtic Name: 3-[1-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]methyl]benzimidazol-2-yl]propanoic acid Openeye Name: 3-[1-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]methyl]benzimidazol-2-yl]propanoic acid CAS Name: 3-[1-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-benzimidazolyl]methyl]-2-benzimidazolyl]propanoic acid IUPAC Name: 3-[1-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazol-5-yl]methyl]benzimidazol-2-yl]propanoic acid Traditional Name: 3-[1-[[2-(4-amidinobenzyl)-1-methyl-benzimidazol-5-yl]methyl]benzimidazol-2-yl]propionic acid Formula: C27H26N6O2 MolecularWeight: 466.53434

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)CN3C4=CC=CC=C4N=C3CCC(=O)O)N=C1CC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)CN3C4=CC=CC=C4N=C3CCC(=O)O)N=C1CC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C27H26N6O2/c1-32-22-11-8-18(14-21(22)31-25(32)15-17-6-9-19(10-7-17)27(28)29)16-33-23-5-3-2-4-20(23)30-24(33)12-13-26(34)35/h2-11,14H,12-13,15-16H2,1H3,(H3,28,29)(H,34,35)