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

Systemtic Name: 3-(4-hydroxyphenyl)sulfanyl-2-[(2-pyridin-4-yl-3H-benzimidazol-5-yl)carbonylamino]propanoic acid Openeye Name: 3-(4-hydroxyphenyl)sulfanyl-2-[[2-(4-pyridyl)-3H-benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[(4-hydroxyphenyl)thio]-2-[[oxo-(2-pyridin-4-yl-3H-benzimidazol-5-yl)methyl]amino]propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)sulfanyl-2-[(2-pyridin-4-yl-3H-benzimidazole-5-carbonyl)amino]propanoic acid Traditional Name: 3-[(4-hydroxyphenyl)thio]-2-[[2-(4-pyridyl)-3H-benzimidazole-5-carbonyl]amino]propionic acid Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1O)SCC(C(=O)O)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4

Isomeric SMILES

C1=CC(=CC=C1O)SCC(C(=O)O)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4

InChI

InChI=1S/C22H18N4O4S/c27-15-2-4-16(5-3-15)31-12-19(22(29)30)26-21(28)14-1-6-17-18(11-14)25-20(24-17)13-7-9-23-10-8-13/h1-11,19,27H,12H2,(H,24,25)(H,26,28)(H,29,30)