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CAS 163217-68-3

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1,1-Dimethylethyl (4R,6R)-6-[2-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[[[4-(phenylmethoxy)phenyl]amino]carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetate

Description:
1,1-Dimethylethyl (4R,6R)-6-[2-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[[[4-(phenylmethoxy)phenyl]amino]carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetate, with CAS number 163217-68-3, is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as dioxane, pyrrole, and aromatic rings. This compound is likely to exhibit significant lipophilicity due to the presence of multiple phenyl and alkyl groups, which may influence its solubility and bioavailability. The specific stereochemistry indicated by the (4R,6R) configuration suggests that it may possess unique chiral properties, potentially affecting its biological activity and interactions with biological targets. Additionally, the presence of a fluorine atom may enhance its metabolic stability and influence its pharmacokinetic profile. Overall, this compound's structural complexity suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting specific biological pathways.
Formula:C47H53FN2O6
InChI:InChI=1S/C47H53FN2O6/c1-31(2)43-42(45(52)49-36-22-24-37(25-23-36)53-30-32-14-10-8-11-15-32)41(33-16-12-9-13-17-33)44(34-18-20-35(48)21-19-34)50(43)27-26-38-28-39(55-47(6,7)54-38)29-40(51)56-46(3,4)5/h8-25,31,38-39H,26-30H2,1-7H3,(H,49,52)/t38-,39-/m1/s1
InChI key:InChIKey=LKMXIMMZUBCVBP-LJEWAXOPSA-N
SMILES:C(C[C@@H]1C[C@H](CC(OC(C)(C)C)=O)OC(C)(C)O1)N2C(=C(C(C(NC3=CC=C(OCC4=CC=CC=C4)C=C3)=O)=C2C(C)C)C5=CC=CC=C5)C6=CC=C(F)C=C6
Synonyms:
  • 1,3-Dioxane-4-acetic acid, 6-[2-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[[[4-(phenylmethoxy)phenyl]amino]carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6R)-
  • (4R-cis)-1,1-Dimethylethyl 6-[2-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[(4-benzyloxyphenyl)carbonyl]-1H-pyrrol-1-yl]-ethyl]-2,2-dimethyl-1,3-dioxane-4-acetate
  • 1,3-Dioxane-4-acetic acid, 6-[2-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[[[4-(phenylmethoxy)phenyl]amino]carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R-cis)-
  • 1,1-Dimethylethyl (4R,6R)-6-[2-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[[[4-(phenylmethoxy)phenyl]amino]carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetate
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