Chem
J-GLOBAL ID：200907000662670880   Nikkaji number：J2.181.175K

2α-[2,4-Dioxo-3,4-dihydropyrimidine-1(2H)-yl]-3α-hydroxy-4β-(difluoromethyl)-5β-(hydroxymethyl)pyrrolidine-1-carboxylic acid tert-butyl ester

2α-[2,4-ジオキソ-3,4-ジヒドロピリミジン-1(2H)-イル]-3α-ヒドロキシ-4β-(ジフルオロメチル)-5β-(ヒドロキシメチル)ピロリジン-1-カルボン酸tert-ブチル
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： C15H21F2N3O6
Molecular formula furigana： C15-H21-F2-N3-O6
Molecular weight： 377.345
InChI： InChI=1S/C15H21F2N3O6/c1-15(2,3)26-14(25)20-7(6-21)9(11(16)17)10(23)12(20)19-5-4-8(22)18-13(19)24/h4-5,7,9-12,21,23H,6H2,1-3H3,(H,18,22,24)/t7-,9+,10-,12+/m1/s1
InChI key： SSQBQWYOPYJUMV-LZDMXVKQSA-N
SMILES： CC(C)(C)OC(=O)N1[C@H](CO)[C@H](C(F)F)[C@@H](O)[C@H]1n1ccc(=O)[nH]c1=O
Systematic name  (3)：
  • 2α-[2,4-ジオキソ-3,4-ジヒドロピリミジン-1(2H)-イル]-3α-ヒドロキシ-4β-(ジフルオロメチル)-5β-(ヒドロキシメチル)ピロリジン-1-カルボン酸tert-ブチル
  • tert-ブチル (2S,3S,4R,5S)-3-(ジフルオロメチル)-5-(2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)-4-ヒドロキシ-2-(ヒドロキシメチル)ピロリジン-1-カルボキシラート
  • tert-butyl (2S,3S,4R,5S)-3-(difluoromethyl)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
Other name (1)：
  • 2α-[2,4-Dioxo-3,4-dihydropyrimidine-1(2H)-yl]-3α-hydroxy-4β-(difluoromethyl)-5β-(hydroxymethyl)pyrrolidine-1-carboxylic acid tert-butyl ester
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