Chem
J-GLOBAL ID：200907022231041366   Nikkaji number：J2.077.875J

(1α,5α)-2-(tert-Butoxycarbonyl)-4α-(benzyloxymethyl)-4-(methoxymethoxymethyl)-6β-(phthalimidylmethyl)-2-azabicyclo[3.3.1]nonane

(1α,5α)-2-(tert-ブトキシカルボニル)-4α-(ベンジルオキシメチル)-4-(メトキシメトキシメチル)-6β-(フタルイミジルメチル)-2-アザビシクロ[3.3.1]ノナン
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： C33H42N2O7
Molecular formula furigana： C33-H42-N2-O7
Molecular weight： 578.706
InChI： InChI=1S/C33H42N2O7/c1-32(2,3)42-31(38)35-19-33(21-41-22-39-4,20-40-18-23-10-6-5-7-11-23)28-16-25(35)15-14-24(28)17-34-29(36)26-12-8-9-13-27(26)30(34)37/h5-13,24-25,28H,14-22H2,1-4H3/t24-,25-,28-,33-/m1/s1
InChI key： XLRRABSJBBCZHV-OCEDMDRFSA-N
SMILES： COCOC[C@]1(COCc2ccccc2)CN([C@@H]2CC[C@H](CN3C(=O)c4ccccc4C3=O)[C@H]1C2)C(=O)OC(C)(C)C
Systematic name  (3)：
  • (1α,5α)-2-(tert-ブトキシカルボニル)-4α-(ベンジルオキシメチル)-4-(メトキシメトキシメチル)-6β-(フタルイミジルメチル)-2-アザビシクロ[3.3.1]ノナン
  • tert-ブチル (1R,4S,5R,6S)-4-[(ベンジルオキシ)メチル]-6-[(1,3-ジオキソ-2,3-ジヒドロ-1H-イソインドール-2-イル)メチル]-4-[(メトキシメトキシ)メチル]-2-アザビシクロ[3.3.1]ノナン-2-カルボキシラート
  • tert-butyl (1R,4S,5R,6S)-4-[(benzyloxy)methyl]-6-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-4-[(methoxymethoxy)methyl]-2-azabicyclo[3.3.1]nonane-2-carboxylate
Other name (1)：
  • (1α,5α)-2-(tert-Butoxycarbonyl)-4α-(benzyloxymethyl)-4-(methoxymethoxymethyl)-6β-(phthalimidylmethyl)-2-azabicyclo[3.3.1]nonane
Thsaurus map：
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