Chem
J-GLOBAL ID:200907049766609162   Nikkaji number:J2.072.286J

(4S)-3-[(R)-1-Methyl-2-(1-phenyl-1H-tetrazole-5-ylsulfonyl)ethyl]-4α-methyl-5α-[(R)-1-(tert-butyldiphenylsiloxy)ethyl]-2-isoxazoline

(4S)-3-[(R)-1-メチル-2-(1-フェニル-1H-テトラゾール-5-イルスルホニル)エチル]-4α-メチル-5α-[(R)-1-(tert-ブチルジフェニルシロキシ)エチル]-2-イソオキサゾリン
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: C32H39N5O4SSi
Molecular formula furigana: C32-H39-N5-O4-S-SI
Molecular weight: 617.840
InChI: InChI=1S/C32H39N5O4SSi/c1-23(22-42(38,39)31-33-35-36-37(31)26-16-10-7-11-17-26)29-24(2)30(40-34-29)25(3)41-43(32(4,5)6,27-18-12-8-13-19-27)28-20-14-9-15-21-28/h7-21,23-25,30H,22H2,1-6H3/t23-,24-,25+,30+/m0/s1
InChI key: AXEMAUPNDSFKMX-ZQIPMTRKSA-N
SMILES: C[C@@H](CS(=O)(=O)c1nnnn1c1ccccc1)C1=NO[C@@H]([C@@H](C)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1C
Systematic name  (3):
  • (4S)-3-[(R)-1-メチル-2-(1-フェニル-1H-テトラゾール-5-イルスルホニル)エチル]-4α-メチル-5α-[(R)-1-(tert-ブチルジフェニルシロキシ)エチル]-2-イソオキサゾリン
  • 5-[(2R)-2-[(4S,5R)-5-[(1R)-1-[(tert-ブチルジフェニルシリル)オキシ]エチル]-4-メチル-4,5-ジヒドロ-1,2-オキサゾール-3-イル]プロパンスルホニル]-1-フェニル-1H-1,2,3,4-テトラゾール
  • 5-[(2R)-2-[(4S,5R)-5-[(1R)-1-[(tert-butyldiphenylsilyl)oxy]ethyl]-4-methyl-4,5-dihydro-1,2-oxazol-3-yl]propanesulfonyl]-1-phenyl-1H-1,2,3,4-tetrazole
Other name (1):
  • (4S)-3-[(R)-1-Methyl-2-(1-phenyl-1H-tetrazole-5-ylsulfonyl)ethyl]-4α-methyl-5α-[(R)-1-(tert-butyldiphenylsiloxy)ethyl]-2-isoxazoline
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