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

Systemtic Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(3-imidazol-1-ylpropyl)benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(3-imidazol-1-ylpropyl)benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-[3-(1-imidazolyl)propyl]-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(3-imidazol-1-ylpropyl)benzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-1-(3-imidazol-1-ylpropyl)benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C25H27N7O3 MolecularWeight: 473.52698

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=N)N)CCCN4C=CN=C4

Isomeric SMILES

COC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=N)N)CCCN4C=CN=C4

InChI

InChI=1S/C25H27N7O3/c1-35-22(33)9-10-29-25(34)19-7-8-21-20(15-19)30-24(18-5-3-17(4-6-18)23(26)27)32(21)13-2-12-31-14-11-28-16-31/h3-8,11,14-16H,2,9-10,12-13H2,1H3,(H3,26,27)(H,29,34)