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

Systemtic Name: 3-[[4-(4-tert-butyl-3-dibenzofuran-4-yl-phenyl)sulfonyl-2-fluoranyl-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)sulfonyl-2-fluoro-phenyl]methylsulfanyl]propanoic acid CAS Name: 3-[[4-[4-tert-butyl-3-(4-dibenzofuranyl)phenyl]sulfonyl-2-fluorophenyl]methylthio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-(4-tert-butyl-3-dibenzofuran-4-ylphenyl)sulfonyl-2-fluorophenyl]methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-[[4-(4-tert-butyl-3-dibenzofuran-4-yl-phenyl)sulfonyl-2-fluoro-benzyl]thio]propionic acid Formula: C37H38FNO7S2 MolecularWeight: 691.828523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H38FNO7S2/c1-36(2,3)29-17-16-23(18-28(29)27-12-9-11-26-25-10-7-8-13-32(25)45-33(26)27)48(43,44)24-15-14-22(30(38)19-24)20-47-21-31(34(40)41)39-35(42)46-37(4,5)6/h7-19,31H,20-21H2,1-6H3,(H,39,42)(H,40,41)