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CAS 834153-88-7

:

N-[(1R)-2-[5-(2-Fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]-β-alanine

Description:
N-[(1R)-2-[5-(2-Fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]-β-alanine, with CAS number 834153-88-7, is a synthetic organic compound characterized by its complex structure, which includes multiple functional groups and a chiral center. This compound features a pyrimidine core, which is a six-membered ring containing nitrogen atoms, contributing to its potential biological activity. The presence of fluorine and methoxy groups suggests that it may exhibit unique electronic properties and lipophilicity, potentially influencing its pharmacokinetics and interactions with biological targets. The β-alanine moiety indicates that it may have applications in medicinal chemistry, possibly as a drug candidate or a biochemical probe. Its intricate structure may also suggest specific stereochemical considerations in its synthesis and application. Overall, this compound exemplifies the complexity often found in modern pharmaceutical agents, highlighting the importance of structure-activity relationships in drug design.
Formula:C31H28F5N3O5
InChI:InChI=1S/C31H28F5N3O5/c1-18-27(20-10-6-13-25(44-2)28(20)33)29(42)39(17-24(37-15-14-26(40)41)19-8-4-3-5-9-19)30(43)38(18)16-21-22(31(34,35)36)11-7-12-23(21)32/h3-13,24,37H,14-17H2,1-2H3,(H,40,41)/t24-/m0/s1
InChI key:InChIKey=HTGWEIMTGKBAKN-DEOSSOPVSA-N
SMILES:CC1=C(C(=O)N(C[C@H](NCCC(O)=O)C2=CC=CC=C2)C(=O)N1CC3=C(C(F)(F)F)C=CC=C3F)C4=C(F)C(OC)=CC=C4
Synonyms:
  • N-[(1R)-2-[5-(2-Fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]-β-alanine
  • β-Alanine, N-[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]-
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