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

Systemtic Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(3-morpholinopropyl)benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-[3-(4-morpholinyl)propyl]-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(3-morpholin-4-ylpropyl)benzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-1-(3-morpholinopropyl)benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C26H32N6O4 MolecularWeight: 492.57008

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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)CCCN4CCOCC4

Isomeric SMILES

COC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=N)N)CCCN4CCOCC4

InChI

InChI=1S/C26H32N6O4/c1-35-23(33)9-10-29-26(34)20-7-8-22-21(17-20)30-25(19-5-3-18(4-6-19)24(27)28)32(22)12-2-11-31-13-15-36-16-14-31/h3-8,17H,2,9-16H2,1H3,(H3,27,28)(H,29,34)