Chem
J-GLOBAL ID：201307092416636731   Nikkaji number：J3.162.455J

AUY-954

3-[2-[2-(トリフルオロメチル)-1,1′-ビフェニル-4-イル]ベンゾ[b]チオフェン-5-イルメチルアミノ]プロパン酸
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C25H20F3NO2S
Molecular formula furigana： C25-H20-F3-N-O2-S
Molecular weight： 455.500
InChI： InChI=1S/C25H20F3NO2S/c26-25(27,28)21-13-18(7-8-20(21)17-4-2-1-3-5-17)23-14-19-12-16(6-9-22(19)32-23)15-29-11-10-24(30)31/h1-9,12-14,29H,10-11,15H2,(H,30,31)
InChI key： SKYYWSWIUKISCX-UHFFFAOYSA-N
SMILES： OC(=O)CCNCc1ccc2sc(cc2c1)c1ccc(c2ccccc2)c(c1)C(F)(F)F
Systematic name  (3)：
  • 3-[2-[2-(トリフルオロメチル)-1,1′-ビフェニル-4-イル]ベンゾ[b]チオフェン-5-イルメチルアミノ]プロパン酸
  • 3-[({2-[2-(トリフルオロメチル)-[1,1'-ビフェニル]-4-イル]-1-ベンゾチオフェン-5-イル}メチル)アミノ]プロパン酸
  • 3-[({2-[2-(trifluoromethyl)-[1,1'-biphenyl]-4-yl]-1-benzothiophen-5-yl}methyl)amino]propanoic acid
Other name (2)：
  • 3-[2-[2-(Trifluoromethyl)-1,1′-biphenyl-4-yl]benzo[b]thiophene-5-ylmethylamino]propanoic acid
  • AUY-954
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