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

Systemtic Name: 3-[[4-(3-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-[[4-(3-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]propanoic acid CAS Name: 3-[[4-[3-(4-dibenzofuranyl)phenyl]phenyl]methylthio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-(3-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-[[4-(3-dibenzofuran-4-ylphenyl)benzyl]thio]propionic acid Formula: C33H31NO5S MolecularWeight: 553.66794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSCC1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC=CC4=C3OC5=CC=CC=C45)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSCC1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC=CC4=C3OC5=CC=CC=C45)C(=O)O

InChI

InChI=1S/C33H31NO5S/c1-33(2,3)39-32(37)34-28(31(35)36)20-40-19-21-14-16-22(17-15-21)23-8-6-9-24(18-23)25-11-7-12-27-26-10-4-5-13-29(26)38-30(25)27/h4-18,28H,19-20H2,1-3H3,(H,34,37)(H,35,36)