3-[[2-(4-carbamimidoylphenyl)-1-(4-methoxyphenyl)benzimidazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-1-(4-methoxyphenyl)benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-1-(4-methoxyphenyl)benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-(4-methoxyphenyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-1-(4-methoxyphenyl)benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-1-(4-methoxyphenyl)benzimidazole-5-carbonyl]amino]propionic acid Formula: C25H23N5O4 MolecularWeight: 457.48122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=C(C=C(C=C3)C(=O)NCCC(=O)O)N=C2C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=C(C=C(C=C3)C(=O)NCCC(=O)O)N=C2C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H23N5O4/c1-34-19-9-7-18(8-10-19)30-21-11-6-17(25(33)28-13-12-22(31)32)14-20(21)29-24(30)16-4-2-15(3-5-16)23(26)27/h2-11,14H,12-13H2,1H3,(H3,26,27)(H,28,33)(H,31,32)