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

Systemtic Name: 3-[[4-(4-tert-butyl-3-dibenzofuran-4-yl-phenyl)phenyl]methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-[[4-(4-tert-butyl-3-dibenzofuran-4-yl-phenyl)phenyl]methylsulfanyl]propanoic acid CAS Name: 3-[[4-[4-tert-butyl-3-(4-dibenzofuranyl)phenyl]phenyl]methylthio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-(4-tert-butyl-3-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-[[4-(4-tert-butyl-3-dibenzofuran-4-yl-phenyl)benzyl]thio]propionic acid Formula: C37H39NO5S MolecularWeight: 609.77426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H39NO5S/c1-36(2,3)30-19-18-25(20-29(30)28-12-9-11-27-26-10-7-8-13-32(26)42-33(27)28)24-16-14-23(15-17-24)21-44-22-31(34(39)40)38-35(41)43-37(4,5)6/h7-20,31H,21-22H2,1-6H3,(H,38,41)(H,39,40)