Chem
J-GLOBAL ID:200907048285000079   Nikkaji number:J882.010D

[(S)-2-[(2S)-3β-[(R)-1-(tert-Butyldimethylsiloxy)ethyl]-4-oxoazetidin-2α-yl]propanethioic acid]S-[2-(piperidinocarbonyl)phenyl] ester

[(S)-2-[(2S)-3β-[(R)-1-(tert-ブチルジメチルシロキシ)エチル]-4-オキソアゼチジン-2α-イル]プロパンチオ酸]S-[2-(ピペリジノカルボニル)フェニル]
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: C26H40N2O4SSi
Molecular formula furigana: C26-H40-N2-O4-S-SI
Molecular weight: 504.760
InChI: InChI=1S/C26H40N2O4SSi/c1-17(22-21(23(29)27-22)18(2)32-34(6,7)26(3,4)5)25(31)33-20-14-10-9-13-19(20)24(30)28-15-11-8-12-16-28/h9-10,13-14,17-18,21-22H,8,11-12,15-16H2,1-7H3,(H,27,29)/t17-,18+,21+,22+/m0/s1
InChI key: VWHXAYRPHOBKTO-XHIHJMKYSA-N
SMILES: C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1[C@H](NC1=O)[C@H](C)C(=O)Sc1ccccc1C(=O)N1CCCCC1
Systematic name  (3):
  • [(S)-2-[(2S)-3β-[(R)-1-(tert-ブチルジメチルシロキシ)エチル]-4-オキソアゼチジン-2α-イル]プロパンチオ酸]S-[2-(ピペリジノカルボニル)フェニル]
  • (3S,4S)-3-[(1R)-1-[(tert-ブチルジメチルシリル)オキシ]エチル]-4-[(2S)-1-オキソ-1-{[2-(ピペリジン-1-カルボニル)フェニル]スルファニル}プロパン-2-イル]アゼチジン-2-オン
  • (3S,4S)-3-[(1R)-1-[(tert-butyldimethylsilyl)oxy]ethyl]-4-[(2S)-1-oxo-1-{[2-(piperidine-1-carbonyl)phenyl]sulfanyl}propan-2-yl]azetidin-2-one
Other name (1):
  • [(S)-2-[(2S)-3β-[(R)-1-(tert-Butyldimethylsiloxy)ethyl]-4-oxoazetidin-2α-yl]propanethioic acid]S-[2-(piperidinocarbonyl)phenyl] ester
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