3-[5-[3-(1H-benzimidazol-2-yl)propanoylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid

Systemtic Name: 3-[5-[3-(1H-benzimidazol-2-yl)propanoylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid Openeye Name: 3-[5-[3-(1H-benzimidazol-2-yl)propanoylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid CAS Name: 3-[5-[[3-(1H-benzimidazol-2-yl)-1-oxopropyl]amino]-1-benzimidazolyl]-3-phenylpropanoic acid IUPAC Name: 3-[5-[3-(1H-benzimidazol-2-yl)propanoylamino]benzimidazol-1-yl]-3-phenylpropanoic acid Traditional Name: 3-[5-[3-(1H-benzimidazol-2-yl)propanoylamino]benzimidazol-1-yl]-3-phenyl-propionic acid Formula: C26H23N5O3 MolecularWeight: 453.49252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)N2C=NC3=C2C=CC(=C3)NC(=O)CCC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)N2C=NC3=C2C=CC(=C3)NC(=O)CCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C26H23N5O3/c32-25(13-12-24-29-19-8-4-5-9-20(19)30-24)28-18-10-11-22-21(14-18)27-16-31(22)23(15-26(33)34)17-6-2-1-3-7-17/h1-11,14,16,23H,12-13,15H2,(H,28,32)(H,29,30)(H,33,34)