3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]-2-(pyridin-3-ylcarbonylamino)propanoic acid

Systemtic Name: 3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]-2-(pyridin-3-ylcarbonylamino)propanoic acid Openeye Name: 3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]-2-(pyridine-3-carbonylamino)propanoic acid CAS Name: 3-[[4-[4-(4-dibenzofuranyl)phenyl]phenyl]methylthio]-2-[[oxo(3-pyridinyl)methyl]amino]propanoic acid IUPAC Name: 3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]-2-(pyridine-3-carbonylamino)propanoic acid Traditional Name: 3-[[4-(4-dibenzofuran-4-ylphenyl)benzyl]thio]-2-nicotinamido-propionic acid Formula: C34H26N2O4S MolecularWeight: 558.64624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(O2)C(=CC=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)CSCC(C(=O)O)NC(=O)C6=CN=CC=C6

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(O2)C(=CC=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)CSCC(C(=O)O)NC(=O)C6=CN=CC=C6

InChI

InChI=1S/C34H26N2O4S/c37-33(26-5-4-18-35-19-26)36-30(34(38)39)21-41-20-22-10-12-23(13-11-22)24-14-16-25(17-15-24)27-7-3-8-29-28-6-1-2-9-31(28)40-32(27)29/h1-19,30H,20-21H2,(H,36,37)(H,38,39)