3-(4-methylphenyl)sulfanyl-2-[(2-pyridin-4-yl-3H-benzimidazol-5-yl)carbonylamino]propanoic acid

Systemtic Name: 3-(4-methylphenyl)sulfanyl-2-[(2-pyridin-4-yl-3H-benzimidazol-5-yl)carbonylamino]propanoic acid Openeye Name: 3-(p-tolylsulfanyl)-2-[[2-(4-pyridyl)-3H-benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[(4-methylphenyl)thio]-2-[[oxo-(2-pyridin-4-yl-3H-benzimidazol-5-yl)methyl]amino]propanoic acid IUPAC Name: 3-(4-methylphenyl)sulfanyl-2-[(2-pyridin-4-yl-3H-benzimidazole-5-carbonyl)amino]propanoic acid Traditional Name: 3-(p-tolylthio)-2-[[2-(4-pyridyl)-3H-benzimidazole-5-carbonyl]amino]propionic acid Formula: C23H20N4O3S MolecularWeight: 432.4949

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(C(=O)O)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SCC(C(=O)O)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4

InChI

InChI=1S/C23H20N4O3S/c1-14-2-5-17(6-3-14)31-13-20(23(29)30)27-22(28)16-4-7-18-19(12-16)26-21(25-18)15-8-10-24-11-9-15/h2-12,20H,13H2,1H3,(H,25,26)(H,27,28)(H,29,30)