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

Systemtic Name: 3-(4-propan-2-ylphenyl)sulfanyl-2-[(2-pyridin-4-yl-3H-benzimidazol-5-yl)carbonylamino]propanoic acid Openeye Name: 3-(4-isopropylphenyl)sulfanyl-2-[[2-(4-pyridyl)-3H-benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 2-[[oxo-(2-pyridin-4-yl-3H-benzimidazol-5-yl)methyl]amino]-3-[(4-propan-2-ylphenyl)thio]propanoic acid IUPAC Name: 3-(4-propan-2-ylphenyl)sulfanyl-2-[(2-pyridin-4-yl-3H-benzimidazole-5-carbonyl)amino]propanoic acid Traditional Name: 3-(p-cumenylthio)-2-[[2-(4-pyridyl)-3H-benzimidazole-5-carbonyl]amino]propionic acid Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=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(C)C1=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/C25H24N4O3S/c1-15(2)16-3-6-19(7-4-16)33-14-22(25(31)32)29-24(30)18-5-8-20-21(13-18)28-23(27-20)17-9-11-26-12-10-17/h3-13,15,22H,14H2,1-2H3,(H,27,28)(H,29,30)(H,31,32)