Chem
J-GLOBAL ID:200907073205604542   Nikkaji number:J1.096.299D

[(1β,6β)-4β-Hydroxy-5α-(hydroxymethyl)-8-oxo-7-butyl-7-azabicyclo[4.2.2]decane-2α-yl]carbamic acid tert-butyl ester

[(1β,6β)-4β-ヒドロキシ-5α-(ヒドロキシメチル)-8-オキソ-7-ブチル-7-アザビシクロ[4.2.2]デカン-2α-イル]カルバミド酸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: C19H34N2O5
Molecular formula furigana: C19-H34-N2-O5
Molecular weight: 370.490
InChI: InChI=1S/C19H34N2O5/c1-5-6-9-21-15-8-7-12(17(21)24)14(10-16(23)13(15)11-22)20-18(25)26-19(2,3)4/h12-16,22-23H,5-11H2,1-4H3,(H,20,25)/t12-,13+,14+,15+,16+/m0/s1
InChI key: UMDMEJCBMQYSIZ-UYJHQMFVSA-N
SMILES: CCCCN1[C@@H]2CC[C@@H]([C@@H](C[C@@H](O)[C@@H]2CO)NC(=O)OC(C)(C)C)C1=O
Systematic name  (3):
  • [(1β,6β)-4β-ヒドロキシ-5α-(ヒドロキシメチル)-8-オキソ-7-ブチル-7-アザビシクロ[4.2.2]デカン-2α-イル]カルバミド酸tert-ブチル
  • tert-ブチル N-[(1S,2R,4R,5S,6R)-7-ブチル-4-ヒドロキシ-5-(ヒドロキシメチル)-8-オキソ-7-アザビシクロ[4.2.2]デカン-2-イル]カルバマート
  • tert-butyl N-[(1S,2R,4R,5S,6R)-7-butyl-4-hydroxy-5-(hydroxymethyl)-8-oxo-7-azabicyclo[4.2.2]decan-2-yl]carbamate
Other name (1):
  • [(1β,6β)-4β-Hydroxy-5α-(hydroxymethyl)-8-oxo-7-butyl-7-azabicyclo[4.2.2]decane-2α-yl]carbamic acid tert-butyl ester
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