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

Systemtic Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(3-phenylpropyl)benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(3-phenylpropyl)benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-(3-phenylpropyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(3-phenylpropyl)benzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-1-(3-phenylpropyl)benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C28H29N5O3 MolecularWeight: 483.56156

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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)CCCC4=CC=CC=C4

Isomeric SMILES

COC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=N)N)CCCC4=CC=CC=C4

InChI

InChI=1S/C28H29N5O3/c1-36-25(34)15-16-31-28(35)22-13-14-24-23(18-22)32-27(21-11-9-20(10-12-21)26(29)30)33(24)17-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-14,18H,5,8,15-17H2,1H3,(H3,29,30)(H,31,35)