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

Systemtic Name: 3-(4-acetamidophenyl)sulfanyl-2-[(2-pyridin-4-yl-3H-benzimidazol-5-yl)carbonylamino]propanoic acid Openeye Name: 3-(4-acetamidophenyl)sulfanyl-2-[[2-(4-pyridyl)-3H-benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[(4-acetamidophenyl)thio]-2-[[oxo-(2-pyridin-4-yl-3H-benzimidazol-5-yl)methyl]amino]propanoic acid IUPAC Name: 3-(4-acetamidophenyl)sulfanyl-2-[(2-pyridin-4-yl-3H-benzimidazole-5-carbonyl)amino]propanoic acid Traditional Name: 3-[(4-acetamidophenyl)thio]-2-[[2-(4-pyridyl)-3H-benzimidazole-5-carbonyl]amino]propionic acid Formula: C24H21N5O4S MolecularWeight: 475.51964

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC(C(=O)O)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4

Isomeric SMILES

CC(=O)NC1=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/C24H21N5O4S/c1-14(30)26-17-3-5-18(6-4-17)34-13-21(24(32)33)29-23(31)16-2-7-19-20(12-16)28-22(27-19)15-8-10-25-11-9-15/h2-12,21H,13H2,1H3,(H,26,30)(H,27,28)(H,29,31)(H,32,33)