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

Systemtic Name: 3-naphthalen-2-ylsulfanyl-2-[(2-pyridin-4-yl-3H-benzimidazol-5-yl)carbonylamino]propanoic acid Openeye Name: 3-(2-naphthylsulfanyl)-2-[[2-(4-pyridyl)-3H-benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-(2-naphthalenylthio)-2-[[oxo-(2-pyridin-4-yl-3H-benzimidazol-5-yl)methyl]amino]propanoic acid IUPAC Name: 3-naphthalen-2-ylsulfanyl-2-[(2-pyridin-4-yl-3H-benzimidazole-5-carbonyl)amino]propanoic acid Traditional Name: 3-(2-naphthylthio)-2-[[2-(4-pyridyl)-3H-benzimidazole-5-carbonyl]amino]propionic acid Formula: C26H20N4O3S MolecularWeight: 468.527

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)SCC(C(=O)O)NC(=O)C3=CC4=C(C=C3)N=C(N4)C5=CC=NC=C5

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)SCC(C(=O)O)NC(=O)C3=CC4=C(C=C3)N=C(N4)C5=CC=NC=C5

InChI

InChI=1S/C26H20N4O3S/c31-25(19-6-8-21-22(14-19)29-24(28-21)17-9-11-27-12-10-17)30-23(26(32)33)15-34-20-7-5-16-3-1-2-4-18(16)13-20/h1-14,23H,15H2,(H,28,29)(H,30,31)(H,32,33)