Chem
J-GLOBAL ID：200907016919249572   Nikkaji number：J2.171.289B

(Z)-Docosane-11-enedioic acid 1-benzyl 22-[(S)-1-(tert-butoxycarbonylaminomethyl)-2-(1-oxoundecyloxy)ethyl] ester

(Z)-ドコサン-11-エン二酸1-ベンジル22-[(S)-1-(tert-ブトキシカルボニルアミノメチル)-2-(1-オキソウンデシルオキシ)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： C48H81NO8
Molecular formula furigana： C48-H81-N-O8
Molecular weight： 800.175
InChI： InChI=1S/C48H81NO8/c1-5-6-7-8-9-22-25-32-37-45(51)55-41-43(39-49-47(53)57-48(2,3)4)56-46(52)38-33-27-24-21-19-17-15-13-11-10-12-14-16-18-20-23-26-31-36-44(50)54-40-42-34-29-28-30-35-42/h10-11,28-30,34-35,43H,5-9,12-27,31-33,36-41H2,1-4H3,(H,49,53)/b11-10-/t43-/m0/s1
InChI key： REPAKQHSPRENKG-FREKNDLNSA-N
SMILES： CCCCCCCCCCC(=O)OC[C@H](CNC(=O)OC(C)(C)C)OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC(=O)OCc1ccccc1
Systematic name  (3)：
  • (Z)-ドコサン-11-エン二酸1-ベンジル22-[(S)-1-(tert-ブトキシカルボニルアミノメチル)-2-(1-オキソウンデシルオキシ)エチル]
  • 1-ベンジル 22-(2S)-1-{[(tert-ブトキシ)カルボニル]アミノ}-3-(ウンデカノイルオキシ)プロパン-2-イル (11Z)-ドコサ-11-エンジオアート
  • 1-benzyl 22-(2S)-1-{[(tert-butoxy)carbonyl]amino}-3-(undecanoyloxy)propan-2-yl (11Z)-docos-11-enedioate
Other name (1)：
  • (Z)-Docosane-11-enedioic acid 1-benzyl 22-[(S)-1-(tert-butoxycarbonylaminomethyl)-2-(1-oxoundecyloxy)ethyl] ester
Thsaurus map：
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