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

Systemtic Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-cyclohexyl-benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-cyclohexyl-benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-cyclohexyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-cyclohexylbenzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-1-cyclohexyl-benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C25H29N5O3 MolecularWeight: 447.52946

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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)C4CCCCC4

Isomeric SMILES

COC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=N)N)C4CCCCC4

InChI

InChI=1S/C25H29N5O3/c1-33-22(31)13-14-28-25(32)18-11-12-21-20(15-18)29-24(30(21)19-5-3-2-4-6-19)17-9-7-16(8-10-17)23(26)27/h7-12,15,19H,2-6,13-14H2,1H3,(H3,26,27)(H,28,32)