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

Systemtic Name: methyl 3-[[1-(3-azanylpropyl)-2-(4-carbamimidoylphenyl)benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[1-(3-aminopropyl)-2-(4-carbamimidoylphenyl)benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[1-(3-aminopropyl)-2-(4-carbamimidoylphenyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[1-(3-aminopropyl)-2-(4-carbamimidoylphenyl)benzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-1-(3-aminopropyl)benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C22H26N6O3 MolecularWeight: 422.48024

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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)CCCN

Isomeric SMILES

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

InChI

InChI=1S/C22H26N6O3/c1-31-19(29)9-11-26-22(30)16-7-8-18-17(13-16)27-21(28(18)12-2-10-23)15-5-3-14(4-6-15)20(24)25/h3-8,13H,2,9-12,23H2,1H3,(H3,24,25)(H,26,30)