4-(2,5-dimethylpyrrol-1-yl)-2-[(2-pyridin-4-yl-3H-benzimidazol-5-yl)carbonylamino]butanoic acid

Systemtic Name: 4-(2,5-dimethylpyrrol-1-yl)-2-[(2-pyridin-4-yl-3H-benzimidazol-5-yl)carbonylamino]butanoic acid Openeye Name: 4-(2,5-dimethylpyrrol-1-yl)-2-[[2-(4-pyridyl)-3H-benzimidazole-5-carbonyl]amino]butanoic acid CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)-2-[[oxo-(2-pyridin-4-yl-3H-benzimidazol-5-yl)methyl]amino]butanoic acid IUPAC Name: 4-(2,5-dimethylpyrrol-1-yl)-2-[(2-pyridin-4-yl-3H-benzimidazole-5-carbonyl)amino]butanoic acid Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)-2-[[2-(4-pyridyl)-3H-benzimidazole-5-carbonyl]amino]butyric acid Formula: C23H23N5O3 MolecularWeight: 417.46042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1CCC(C(=O)O)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4)C

Isomeric SMILES

CC1=CC=C(N1CCC(C(=O)O)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4)C

InChI

InChI=1S/C23H23N5O3/c1-14-3-4-15(2)28(14)12-9-19(23(30)31)27-22(29)17-5-6-18-20(13-17)26-21(25-18)16-7-10-24-11-8-16/h3-8,10-11,13,19H,9,12H2,1-2H3,(H,25,26)(H,27,29)(H,30,31)