Chem
J-GLOBAL ID:200907092805417449   Nikkaji number:J2.380.367D

(1α,2β,6β,7α)-3-Benzyl-9-oxo-3,4,5,8-tetraazatricyclo[5.2.1.02,6]deca-4-ene-8-carboxylic acid tert-butyl ester

(1α,2β,6β,7α)-3-ベンジル-9-オキソ-3,4,5,8-テトラアザトリシクロ[5.2.1.02,6]デカ-4-エン-8-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: C18H22N4O3
Molecular formula furigana: C18-H22-N4-O3
Molecular weight: 342.399
InChI: InChI=1S/C18H22N4O3/c1-18(2,3)25-17(24)22-13-9-12(16(22)23)15-14(13)19-20-21(15)10-11-7-5-4-6-8-11/h4-8,12-15H,9-10H2,1-3H3/t12-,13+,14-,15+/m1/s1
InChI key: WPWQMKHKQDWCTC-BARDWOONSA-N
SMILES: CC(C)(C)OC(=O)N1[C@H]2C[C@H]([C@H]3[C@@H]2N=NN3Cc2ccccc2)C1=O
Systematic name  (3):
  • (1α,2β,6β,7α)-3-ベンジル-9-オキソ-3,4,5,8-テトラアザトリシクロ[5.2.1.02,6]デカ-4-エン-8-カルボン酸tert-ブチル
  • tert-ブチル (1R,2S,6R,7S)-3-ベンジル-9-オキソ-3,4,5,8-テトラアザトリシクロ[5.2.1.02,6]デカ-4-エン-8-カルボキシラート
  • tert-butyl (1R,2S,6R,7S)-3-benzyl-9-oxo-3,4,5,8-tetraazatricyclo[5.2.1.02,6]dec-4-ene-8-carboxylate
Other name (1):
  • (1α,2β,6β,7α)-3-Benzyl-9-oxo-3,4,5,8-tetraazatricyclo[5.2.1.02,6]deca-4-ene-8-carboxylic acid tert-butyl ester
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