Chem
J-GLOBAL ID:200907001607850980   Nikkaji number:J850.628K

(3S)-1,4-Dimethyl-3α,6β-bis(methylthio)-3-[4-(prenyloxy)benzyl]piperazine-2,5-dione

(3S)-1,4-ジメチル-3α,6β-ビス(メチルチオ)-3-[4-(プレニルオキシ)ベンジル]ピペラジン-2,5-ジオン
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: C20H28N2O3S2
Molecular formula furigana: C20-H28-N2-O3-S2
Molecular weight: 408.580
InChI: InChI=1S/C20H28N2O3S2/c1-14(2)11-12-25-16-9-7-15(8-10-16)13-20(27-6)19(24)21(3)18(26-5)17(23)22(20)4/h7-11,18H,12-13H2,1-6H3/t18-,20+/m1/s1
InChI key: XBKBUMFBHNQOLC-QUCCMNQESA-N
SMILES: CS[C@H]1N(C)C(=O)[C@](Cc2ccc(OCC=C(C)C)cc2)(SC)N(C)C1=O
Systematic name  (5):
  • (3S)-1,4-ジメチル-3α,6β-ビス(メチルチオ)-3-[4-[(3-メチル-2-ブテニル)オキシ]ベンジル]ピペラジン-2,5-ジオン
  • 1,4-ジメチル-3α,6β-ビス(メチルチオ)-3-[4-[(3-メチル-2-ブテニル)オキシ]ベンジル]ピペラジン-2,5-ジオン
  • (3S)-1,4-ジメチル-3α,6β-ビス(メチルチオ)-3-[4-(プレニルオキシ)ベンジル]ピペラジン-2,5-ジオン
  • (3S,6R)-1,4-ジメチル-3-({4-[(3-メチルブタ-2-エン-1-イル)オキシ]フェニル}メチル)-3,6-ビス(メチルスルファニル)ピペラジン-2,5-ジオン
  • (3S,6R)-1,4-dimethyl-3-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-3,6-bis(methylsulfanyl)piperazine-2,5-dione
Other name (3):
  • 1,4-Dimethyl-3α,6β-bis(methylthio)-3-[4-[(3-methyl-2-butenyl)oxy]benzyl]piperazine-2,5-dione
  • (3S)-1,4-Dimethyl-3α,6β-bis(methylthio)-3-[4-[(3-methyl-2-butenyl)oxy]benzyl]piperazine-2,5-dione
  • (3S)-1,4-Dimethyl-3α,6β-bis(methylthio)-3-[4-(prenyloxy)benzyl]piperazine-2,5-dione
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