Chem
J-GLOBAL ID：200907094924437728   Nikkaji number：J2.171.287F

(Z)-Dotriacontane-16-enedioic acid 1-benzyl 32-[(S)-1-(tert-butoxycarbonylaminomethyl)-2-(1-oxohexadecyloxy)ethyl] ester

(Z)-ドトリアコンタン-16-エン二酸1-ベンジル32-[(S)-1-(tert-ブトキシカルボニルアミノメチル)-2-(1-オキソヘキサデシルオキシ)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： C63H111NO8
Molecular formula furigana： C63-H111-N-O8
Molecular weight： 1010.580
InChI： InChI=1S/C63H111NO8/c1-5-6-7-8-9-10-11-28-31-35-38-41-47-52-60(66)70-56-58(54-64-62(68)72-63(2,3)4)71-61(67)53-48-42-39-36-33-30-27-25-23-21-19-17-15-13-12-14-16-18-20-22-24-26-29-32-34-37-40-46-51-59(65)69-55-57-49-44-43-45-50-57/h12-13,43-45,49-50,58H,5-11,14-42,46-48,51-56H2,1-4H3,(H,64,68)/b13-12-/t58-/m0/s1
InChI key： KYUUAIYHMYPVHO-HEOCJGITSA-N
SMILES： CCCCCCCCCCCCCCCC(=O)OC[C@H](CNC(=O)OC(C)(C)C)OC(=O)CCCCCCCCCCCCCC/C=C\CCCCCCCCCCCCCCC(=O)OCc1ccccc1
Systematic name  (3)：
  • (Z)-ドトリアコンタン-16-エン二酸1-ベンジル32-[(S)-1-(tert-ブトキシカルボニルアミノメチル)-2-(1-オキソヘキサデシルオキシ)エチル]
  • 1-ベンジル 32-(2S)-1-{[(tert-ブトキシ)カルボニル]アミノ}-3-(ヘキサデカノイルオキシ)プロパン-2-イル (16Z)-ドトリアコンタ-16-エンジオアート
  • 1-benzyl 32-(2S)-1-{[(tert-butoxy)carbonyl]amino}-3-(hexadecanoyloxy)propan-2-yl (16Z)-dotriacont-16-enedioate
Other name (1)：
  • (Z)-Dotriacontane-16-enedioic acid 1-benzyl 32-[(S)-1-(tert-butoxycarbonylaminomethyl)-2-(1-oxohexadecyloxy)ethyl] ester
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