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

Systemtic Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-tetradecyl-benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-tetradecyl-benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-tetradecyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-tetradecylbenzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-1-myristyl-benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C33H47N5O3 MolecularWeight: 561.75798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCN1C2=C(C=C(C=C2)C(=O)NCCC(=O)OC)N=C1C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCCCCCCCCCCCCCN1C2=C(C=C(C=C2)C(=O)NCCC(=O)OC)N=C1C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C33H47N5O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-23-38-29-20-19-27(33(40)36-22-21-30(39)41-2)24-28(29)37-32(38)26-17-15-25(16-18-26)31(34)35/h15-20,24H,3-14,21-23H2,1-2H3,(H3,34,35)(H,36,40)