Chem
J-GLOBAL ID：200907048565104511   Nikkaji number：J573.323E

(4S,5R,6S)-3-[(E)-Benzyloxymethylene]-1-(tert-butoxycarbonyl)-6-(trifluoroacetyl)amino-4,5-(isopropylidenedioxy)piperidine

(4S,5R,6S)-3-[(E)-ベンジルオキシメチレン]-1-(tert-ブトキシカルボニル)-6-(トリフルオロアセチル)アミノ-4,5-(イソプロピリデンジオキシ)ピペリジン
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： C23H29F3N2O6
Molecular formula furigana： C23-H29-F3-N2-O6
Molecular weight： 486.488
InChI： InChI=1S/C23H29F3N2O6/c1-21(2,3)34-20(30)28-11-15(13-31-12-14-9-7-6-8-10-14)16-17(33-22(4,5)32-16)18(28)27-19(29)23(24,25)26/h6-10,13,16-18H,11-12H2,1-5H3,(H,27,29)/b15-13+/t16-,17-,18-/m0/s1
InChI key： LUZHSSWFYVBSOZ-BAVKCISUSA-N
SMILES： CC(C)(C)OC(=O)N1C/C(=C\OCc2ccccc2)/[C@@H]2OC(C)(C)O[C@@H]2[C@H]1NC(=O)C(F)(F)F
Systematic name  (3)：
  • (4S,5R,6S)-3-[(E)-ベンジルオキシメチレン]-1-(tert-ブトキシカルボニル)-6-(トリフルオロアセチル)アミノ-4,5-(イソプロピリデンジオキシ)ピペリジン
  • tert-ブチル (3aR,4S,7E,7aS)-7-[(ベンジルオキシ)メチリデン]-2,2-ジメチル-4-(2,2,2-トリフルオロアセトアミド)-ヘキサヒドロ-2H-[1,3]ジオキソロ[4,5-c]ピリジン-5-カルボキシラート
  • tert-butyl (3aR,4S,7E,7aS)-7-[(benzyloxy)methylidene]-2,2-dimethyl-4-(2,2,2-trifluoroacetamido)-hexahydro-2H-[1,3]dioxolo[4,5-c]pyridine-5-carboxylate
Other name (1)：
  • (4S,5R,6S)-3-[(E)-Benzyloxymethylene]-1-(tert-butoxycarbonyl)-6-(trifluoroacetyl)amino-4,5-(isopropylidenedioxy)piperidine
Thsaurus map：
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