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

Systemtic Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(2-pyridin-2-ylethyl)benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-[2-(2-pyridyl)ethyl]benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-[2-(2-pyridinyl)ethyl]-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(2-pyridin-2-ylethyl)benzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-1-[2-(2-pyridyl)ethyl]benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C26H26N6O3 MolecularWeight: 470.52304

Click to see the large picture

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)CCC4=CC=CC=N4

Isomeric SMILES

COC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=N)N)CCC4=CC=CC=N4

InChI

InChI=1S/C26H26N6O3/c1-35-23(33)11-14-30-26(34)19-9-10-22-21(16-19)31-25(18-7-5-17(6-8-18)24(27)28)32(22)15-12-20-4-2-3-13-29-20/h2-10,13,16H,11-12,14-15H2,1H3,(H3,27,28)(H,30,34)