Chem
J-GLOBAL ID：200907050484317400   Nikkaji number：J1.361.166A

3-[5β-(2-Methylpropyl)-3,6-dioxopiperazine-2β-yl]propanoic acid 3,7-dimethyloctyl ester

3-[5β-(2-メチルプロピル)-3,6-ジオキソピペラジン-2β-イル]プロパン酸3,7-ジメチルオクチル
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： C21H38N2O4
Molecular formula furigana： C21-H38-N2-O4
Molecular weight： 382.545
InChI： InChI=1S/C21H38N2O4/c1-14(2)7-6-8-16(5)11-12-27-19(24)10-9-17-20(25)23-18(13-15(3)4)21(26)22-17/h14-18H,6-13H2,1-5H3,(H,22,26)(H,23,25)/t16?,17-,18-/m0/s1
InChI key： VHOLFJSLABZKFW-FQECFTEESA-N
SMILES： CC(C)CCCC(C)CCOC(=O)CC[C@@H]1NC(=O)[C@H](CC(C)C)NC1=O
Systematic name  (3)：
  • 3-[5β-(2-メチルプロピル)-3,6-ジオキソピペラジン-2β-イル]プロパン酸3,7-ジメチルオクチル
  • 3,7-ジメチルオクチル 3-[(2S,5S)-5-(2-メチルプロピル)-3,6-ジオキソピペラジン-2-イル]プロパノアート
  • 3,7-dimethyloctyl 3-[(2S,5S)-5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propanoate
Other name (1)：
  • 3-[5β-(2-Methylpropyl)-3,6-dioxopiperazine-2β-yl]propanoic acid 3,7-dimethyloctyl ester
Thsaurus map：
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