Chem
J-GLOBAL ID：200907003621986081   Nikkaji number：J1.361.172F

5β-Benzyl-3,6-dioxopiperazine-2β-acetic acid 3,5,5-trimethylhexyl ester

5β-ベンジル-3,6-ジオキソピペラジン-2β-酢酸3,5,5-トリメチルヘキシル
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： C22H32N2O4
Molecular formula furigana： C22-H32-N2-O4
Molecular weight： 388.508
InChI： InChI=1S/C22H32N2O4/c1-15(14-22(2,3)4)10-11-28-19(25)13-18-21(27)23-17(20(26)24-18)12-16-8-6-5-7-9-16/h5-9,15,17-18H,10-14H2,1-4H3,(H,23,27)(H,24,26)/t15?,17-,18-/m0/s1
InChI key： QXZMAFCIQAOWRV-BEEDKBRMSA-N
SMILES： CC(CCOC(=O)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC1=O)CC(C)(C)C
Systematic name  (3)：
  • 5β-ベンジル-3,6-ジオキソピペラジン-2β-酢酸3,5,5-トリメチルヘキシル
  • 3,5,5-トリメチルヘキシル 2-[(2S,5S)-5-ベンジル-3,6-ジオキソピペラジン-2-イル]アセタート
  • 3,5,5-trimethylhexyl 2-[(2S,5S)-5-benzyl-3,6-dioxopiperazin-2-yl]acetate
Other name (1)：
  • 5β-Benzyl-3,6-dioxopiperazine-2β-acetic acid 3,5,5-trimethylhexyl ester
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