Chem
J-GLOBAL ID:200907048396624950   Nikkaji number:J2.655.362H

N-[[(1β,5β)-2β-(tert-Butoxycarbonylamino)-6,6-dimethylbicyclo[3.1.1]heptane-3β-yl]carbonyl]-L-phenylalanine ethyl ester

N-[[(1β,5β)-2β-(tert-ブトキシカルボニルアミノ)-6,6-ジメチルビシクロ[3.1.1]ヘプタン-3β-イル]カルボニル]-L-フェニルアラニンエチル
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: C26H38N2O5
Molecular formula furigana: C26-H38-N2-O5
Molecular weight: 458.599
InChI: InChI=1S/C26H38N2O5/c1-7-32-23(30)20(13-16-11-9-8-10-12-16)27-22(29)18-14-17-15-19(26(17,5)6)21(18)28-24(31)33-25(2,3)4/h8-12,17-21H,7,13-15H2,1-6H3,(H,27,29)(H,28,31)/t17-,18-,19-,20-,21-/m0/s1
InChI key: YDMLKICVYIRROM-SXYSDOLCSA-N
SMILES: CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1C[C@H]2C[C@@H]([C@H]1NC(=O)OC(C)(C)C)C2(C)C
Systematic name  (3):
  • N-[[(1β,5β)-2β-(tert-ブトキシカルボニルアミノ)-6,6-ジメチルビシクロ[3.1.1]ヘプタン-3β-イル]カルボニル]-L-フェニルアラニンエチル
  • エチル (2S)-2-{[(1R,2R,3S,5R)-2-{[(tert-ブトキシ)カルボニル]アミノ}-6,6-ジメチルビシクロ[3.1.1]ヘプタン-3-イル]ホルムアミド}-3-フェニルプロパノアート
  • ethyl (2S)-2-{[(1R,2R,3S,5R)-2-{[(tert-butoxy)carbonyl]amino}-6,6-dimethylbicyclo[3.1.1]heptan-3-yl]formamido}-3-phenylpropanoate
Other name (1):
  • N-[[(1β,5β)-2β-(tert-Butoxycarbonylamino)-6,6-dimethylbicyclo[3.1.1]heptane-3β-yl]carbonyl]-L-phenylalanine ethyl ester
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