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

Systemtic Name: 3-(3-methoxyphenyl)sulfanyl-2-[(2-pyridin-4-yl-3H-benzimidazol-5-yl)carbonylamino]propanoic acid Openeye Name: 3-(3-methoxyphenyl)sulfanyl-2-[[2-(4-pyridyl)-3H-benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[(3-methoxyphenyl)thio]-2-[[oxo-(2-pyridin-4-yl-3H-benzimidazol-5-yl)methyl]amino]propanoic acid IUPAC Name: 3-(3-methoxyphenyl)sulfanyl-2-[(2-pyridin-4-yl-3H-benzimidazole-5-carbonyl)amino]propanoic acid Traditional Name: 3-[(3-methoxyphenyl)thio]-2-[[2-(4-pyridyl)-3H-benzimidazole-5-carbonyl]amino]propionic acid Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)SCC(C(=O)O)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4

Isomeric SMILES

COC1=CC(=CC=C1)SCC(C(=O)O)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4

InChI

InChI=1S/C23H20N4O4S/c1-31-16-3-2-4-17(12-16)32-13-20(23(29)30)27-22(28)15-5-6-18-19(11-15)26-21(25-18)14-7-9-24-10-8-14/h2-12,20H,13H2,1H3,(H,25,26)(H,27,28)(H,29,30)