methyl 3-[[1-(6-azanylhexyl)-2-(4-carbamimidoylphenyl)benzimidazol-5-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[1-(6-azanylhexyl)-2-(4-carbamimidoylphenyl)benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[1-(6-aminohexyl)-2-(4-carbamimidoylphenyl)benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[1-(6-aminohexyl)-2-(4-carbamimidoylphenyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[1-(6-aminohexyl)-2-(4-carbamimidoylphenyl)benzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-1-(6-aminohexyl)benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C25H32N6O3 MolecularWeight: 464.55998

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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)CCCCCCN

Isomeric SMILES

COC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=N)N)CCCCCCN

InChI

InChI=1S/C25H32N6O3/c1-34-22(32)12-14-29-25(33)19-10-11-21-20(16-19)30-24(31(21)15-5-3-2-4-13-26)18-8-6-17(7-9-18)23(27)28/h6-11,16H,2-5,12-15,26H2,1H3,(H3,27,28)(H,29,33)