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CAS 472967-95-6

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tert-butyl [(4S,6S)-6-{2-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]ethyl}-2,2-dimethyl-1,3-dioxan-4-yl]acetate

Description:
Tert-butyl [(4S,6S)-6-{2-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]ethyl}-2,2-dimethyl-1,3-dioxan-4-yl]acetate, with CAS number 472967-95-6, is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as esters, dioxanes, and aromatic rings. This compound is likely to exhibit moderate to high lipophilicity due to the presence of aromatic moieties and tert-butyl groups, which can influence its solubility in organic solvents. The stereochemistry indicated by the (4S,6S) configuration suggests specific spatial arrangements that may affect its biological activity and interactions with other molecules. Additionally, the presence of a fluorine atom in the structure can enhance the compound's metabolic stability and influence its pharmacokinetic properties. Overall, this compound may have potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to its unique structural features and potential biological activity.
Formula:C40H47FN2O5
InChI:InChI=1/C40H47FN2O5/c1-26(2)36-35(38(45)42-30-16-12-9-13-17-30)34(27-14-10-8-11-15-27)37(28-18-20-29(41)21-19-28)43(36)23-22-31-24-32(47-40(6,7)46-31)25-33(44)48-39(3,4)5/h8-21,26,31-32H,22-25H2,1-7H3,(H,42,45)/t31-,32-/m0/s1
SMILES:CC(C)c1c(c(c2ccccc2)c(c2ccc(cc2)F)n1CC[C@H]1C[C@@H](CC(=O)OC(C)(C)C)OC(C)(C)O1)C(=Nc1ccccc1)O
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