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

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-1-phenyl-benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-1-phenyl-benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-phenyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-1-phenylbenzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-1-phenyl-benzimidazole-5-carbonyl]amino]propionic acid Formula: C24H21N5O3 MolecularWeight: 427.45524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=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

C1=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/C24H21N5O3/c25-22(26)15-6-8-16(9-7-15)23-28-19-14-17(24(32)27-13-12-21(30)31)10-11-20(19)29(23)18-4-2-1-3-5-18/h1-11,14H,12-13H2,(H3,25,26)(H,27,32)(H,30,31)