Chem
J-GLOBAL ID:200907001926409367   Nikkaji number:J1.997.814A

(1β,5β)-3,8-Diazabicyclo[3.2.1]octane-2α,3,8-tricarboxylic acid 2-methyl 3,8-di-tert-butyl ester

(1β,5β)-3,8-ジアザビシクロ[3.2.1]オクタン-2α,3,8-トリカルボン酸2-メチル3,8-ジ-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: C18H30N2O6
Molecular formula furigana: C18-H30-N2-O6
Molecular weight: 370.446
InChI: InChI=1S/C18H30N2O6/c1-17(2,3)25-15(22)19-10-11-8-9-12(13(19)14(21)24-7)20(11)16(23)26-18(4,5)6/h11-13H,8-10H2,1-7H3/t11-,12+,13+/m0/s1
InChI key: QHFWCXCWPRURSF-YNEHKIRRSA-N
SMILES: COC(=O)[C@H]1[C@H]2CC[C@@H](CN1C(=O)OC(C)(C)C)N2C(=O)OC(C)(C)C
Systematic name  (3):
  • (1β,5β)-3,8-ジアザビシクロ[3.2.1]オクタン-2α,3,8-トリカルボン酸2-メチル3,8-ジ-tert-ブチル
  • 3,8-ジ-tert-ブチル 2-メチル (1R,2R,5S)-3,8-ジアザビシクロ[3.2.1]オクタン-2,3,8-トリカルボキシラート
  • 3,8-di-tert-butyl 2-methyl (1R,2R,5S)-3,8-diazabicyclo[3.2.1]octane-2,3,8-tricarboxylate
Other name (1):
  • (1β,5β)-3,8-Diazabicyclo[3.2.1]octane-2α,3,8-tricarboxylic acid 2-methyl 3,8-di-tert-butyl ester
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