3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]sulfanyl-propanoic acid CAS Name: 3-[[4-[4-(4-dibenzofuranyl)phenyl]phenyl]thio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]thio]propionic acid Formula: C32H29NO5S MolecularWeight: 539.64136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC4=C3OC5=CC=CC=C45)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC4=C3OC5=CC=CC=C45)C(=O)O

InChI

InChI=1S/C32H29NO5S/c1-32(2,3)38-31(36)33-27(30(34)35)19-39-23-17-15-21(16-18-23)20-11-13-22(14-12-20)24-8-6-9-26-25-7-4-5-10-28(25)37-29(24)26/h4-18,27H,19H2,1-3H3,(H,33,36)(H,34,35)