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

Systemtic Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(pyridin-3-ylmethyl)benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(3-pyridylmethyl)benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-(3-pyridinylmethyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(pyridin-3-ylmethyl)benzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-1-(3-pyridylmethyl)benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C25H24N6O3 MolecularWeight: 456.49646

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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)CC4=CN=CC=C4

Isomeric SMILES

COC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=N)N)CC4=CN=CC=C4

InChI

InChI=1S/C25H24N6O3/c1-34-22(32)10-12-29-25(33)19-8-9-21-20(13-19)30-24(18-6-4-17(5-7-18)23(26)27)31(21)15-16-3-2-11-28-14-16/h2-9,11,13-14H,10,12,15H2,1H3,(H3,26,27)(H,29,33)