Chem
J-GLOBAL ID：201607020096297242   Nikkaji number：J3.524.801C

(2S,3S)-1-(2,3-Dihydro-1H-pyrrolo[2,3-b]pyridine-1-yl)-2-fluoro-3-phenyl-3-(Boc-amino)-1-propanone

(2S,3S)-1-(2,3-ジヒドロ-1H-ピロロ[2,3-b]ピリジン-1-イル)-2-フルオロ-3-フェニル-3-(Boc-アミノ)-1-プロパノン
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： C21H24FN3O3
Molecular formula furigana： C21-H24-F-N3-O3
Molecular weight： 385.439
InChI： InChI=1S/C21H24FN3O3/c1-21(2,3)28-20(27)24-17(14-8-5-4-6-9-14)16(22)19(26)25-13-11-15-10-7-12-23-18(15)25/h4-10,12,16-17H,11,13H2,1-3H3,(H,24,27)/t16-,17-/m0/s1
InChI key： IFALLVXNJKOJCN-IRXDYDNUSA-N
SMILES： CC(C)(C)OC(=O)N[C@H]([C@H](F)C(=O)N1CCc2cccnc12)c1ccccc1
Systematic name  (3)：
  • (2S,3S)-1-(2,3-ジヒドロ-1H-ピロロ[2,3-b]ピリジン-1-イル)-2-フルオロ-3-フェニル-3-(Boc-アミノ)-1-プロパノン
  • tert-ブチル N-[(1S,2S)-2-フルオロ-3-オキソ-1-フェニル-3-{1H,2H,3H-ピロロ[2,3-b]ピリジン-1-イル}プロピル]カルバマート
  • tert-butyl N-[(1S,2S)-2-fluoro-3-oxo-1-phenyl-3-{1H,2H,3H-pyrrolo[2,3-b]pyridin-1-yl}propyl]carbamate
Other name (1)：
  • (2S,3S)-1-(2,3-Dihydro-1H-pyrrolo[2,3-b]pyridine-1-yl)-2-fluoro-3-phenyl-3-(Boc-amino)-1-propanone
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