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

Systemtic Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(phenylmethyl)benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[1-benzyl-2-(4-carbamimidoylphenyl)benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-(phenylmethyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[1-benzyl-2-(4-carbamimidoylphenyl)benzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-1-benzyl-benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C26H25N5O3 MolecularWeight: 455.5084

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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=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)CC4=CC=CC=C4

InChI

InChI=1S/C26H25N5O3/c1-34-23(32)13-14-29-26(33)20-11-12-22-21(15-20)30-25(19-9-7-18(8-10-19)24(27)28)31(22)16-17-5-3-2-4-6-17/h2-12,15H,13-14,16H2,1H3,(H3,27,28)(H,29,33)