Chem
J-GLOBAL ID:200907050900223010   Nikkaji number:J738.778D

3′-O-(4-Chlorobenzyl)-3-L-valyl-5-fluoro-2′-deoxyuridine

3′-O-(4-クロロベンジル)-3-L-バリル-5-フルオロ-2′-デオキシウリジン
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: C21H25ClFN3O6
Molecular formula furigana: C21-H25-CL-F-N3-O6
Molecular weight: 469.890
InChI: InChI=1S/C21H25ClFN3O6/c1-11(2)18(24)20(29)26-19(28)14(23)8-25(21(26)30)17-7-15(16(9-27)32-17)31-10-12-3-5-13(22)6-4-12/h3-6,8,11,15-18,27H,7,9-10,24H2,1-2H3/t15-,16+,17+,18-/m0/s1
InChI key: CGFNYCZPHRRNGY-MLHJIOFPSA-N
SMILES: CC(C)[C@H](N)C(=O)n1c(=O)c(F)cn([C@H]2C[C@H](OCc3ccc(Cl)cc3)[C@@H](CO)O2)c1=O
Systematic name  (3):
  • 3′-O-(4-クロロベンジル)-3-L-バリル-5-フルオロ-2′-デオキシウリジン
  • 3-[(2S)-2-アミノ-3-メチルブタノイル]-1-[(2R,4S,5R)-4-[(4-クロロフェニル)メトキシ]-5-(ヒドロキシメチル)オキソラン-2-イル]-5-フルオロ-1,2,3,4-テトラヒドロピリミジン-2,4-ジオン
  • 3-[(2S)-2-amino-3-methylbutanoyl]-1-[(2R,4S,5R)-4-[(4-chlorophenyl)methoxy]-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione
Other name (1):
  • 3′-O-(4-Chlorobenzyl)-3-L-valyl-5-fluoro-2′-deoxyuridine
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