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

Systemtic Name: 3-[[4-(3-tert-butyl-4-dibenzofuran-4-yl-phenyl)sulfonylphenyl]methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-[[4-(3-tert-butyl-4-dibenzofuran-4-yl-phenyl)sulfonylphenyl]methylsulfanyl]propanoic acid CAS Name: 3-[[4-[3-tert-butyl-4-(4-dibenzofuranyl)phenyl]sulfonylphenyl]methylthio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-(3-tert-butyl-4-dibenzofuran-4-ylphenyl)sulfonylphenyl]methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-[[4-(3-tert-butyl-4-dibenzofuran-4-yl-phenyl)sulfonylbenzyl]thio]propionic acid Formula: C37H39NO7S2 MolecularWeight: 673.83806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)S(=O)(=O)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=CC(=C1)S(=O)(=O)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/C37H39NO7S2/c1-36(2,3)30-20-25(18-19-26(30)28-11-9-12-29-27-10-7-8-13-32(27)44-33(28)29)47(42,43)24-16-14-23(15-17-24)21-46-22-31(34(39)40)38-35(41)45-37(4,5)6/h7-20,31H,21-22H2,1-6H3,(H,38,41)(H,39,40)