Chem
J-GLOBAL ID：201307038280951889   Nikkaji number：J3.133.124B

Avagacestat

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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： C19H15ClF4N4O4S
Molecular formula furigana： C19-H15-CL-F4-N4-O4-S
Molecular weight： 506.860
InChI： InChI=1S/C19H15ClF4N4O4S/c20-11-1-4-13(5-2-11)33(30,31)28(16(17(25)29)7-8-19(22,23)24)12-3-6-14(15(21)9-12)18-26-10-32-27-18/h1-6,9-10,16H,7-8H2,(H2,25,29)/t16-/m1/s1
InChI key： YTIKDKXVEVPMPH-MRXNPFEDSA-N
SMILES： NC(=O)[C@@H](CCC(F)(F)F)N(c1ccc(c2ncon2)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1
Systematic name  (3)：
  • (2R)-2-[[3-フルオロ-4-(1,2,4-オキサジアゾール-3-イル)フェニル](4-クロロフェニルスルホニル)アミノ]-5,5,5-トリフルオロペンタンアミド
  • (2R)-5,5,5-トリフルオロ-2-{N-[3-フルオロ-4-(1,2,4-オキサジアゾール-3-イル)フェニル]4-クロロベンゼンスルホンアミド}ペンタンアミド
  • (2R)-5,5,5-trifluoro-2-{N-[3-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]4-chlorobenzenesulfonamido}pentanamide
Other name (3)：
  • (2R)-2-[[3-Fluoro-4-(1,2,4-oxadiazole-3-yl)phenyl](4-chlorophenylsulfonyl)amino]-5,5,5-trifluoropentanamide
  • アバガセスタット
  • Avagacestat
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