Chem
J-GLOBAL ID：200907071093203407
Nikkaji number：J1.912.932B
1-Acetyl-3-[(Z)-6-(tosyloxy)-7-methyl-1,3-benzodioxole-5-ylmethylene]-6-[2-bromo-3-methyl-4-methoxy-5-(methoxymethoxy)benzyl]piperazine-2,5-dione
1-アセチル-3-[(Z)-6-(トシルオキシ)-7-メチル-1,3-ベンゾジオキソール-5-イルメチレン]-6-[2-ブロモ-3-メチル-4-メトキシ-5-(メトキシメトキシ)ベンジル]ピペラジン-2,5-ジオン
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
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
Molecular formula： C33H33BrN2O11S
Molecular formula furigana： C33-H33-BR-N2-O11-S
Molecular weight： 745.590
InChI：
InChI=1S/C33H33BrN2O11S/c1-17-7-9-23(10-8-17)48(40,41)47-29-19(3)31-27(45-16-46-31)14-22(29)11-24-33(39)36(20(4)37)25(32(38)35-24)12-21-13-26(44-15-42-5)30(43-6)18(2)28(21)34/h7-11,13-14,25H,12,15-16H2,1-6H3,(H,35,38)/b24-11-
InChI key：
ZKCKVPLVFBOKHJ-MYKKPKGFSA-N
SMILES：
COCOc1cc(CC2N(C(=O)C)C(=O)/C(=C/c3cc4OCOc4c(C)c3OS(=O)(=O)c3ccc(C)cc3)/NC2=O)c(Br)c(C)c1OC
Systematic name (3)：
- 1-アセチル-3-[(Z)-6-(トシルオキシ)-7-メチル-1,3-ベンゾジオキソール-5-イルメチレン]-6-[2-ブロモ-3-メチル-4-メトキシ-5-(メトキシメトキシ)ベンジル]ピペラジン-2,5-ジオン
- 6-{[(2Z)-4-アセチル-5-{[2-ブロモ-4-メトキシ-5-(メトキシメトキシ)-3-メチルフェニル]メチル}-3,6-ジオキソピペラジン-2-イリデン]メチル}-4-メチル-2H-1,3-ベンゾジオキソール-5-イル 4-メチルベンゼン-1-スルホナート
- 6-{[(2Z)-4-acetyl-5-{[2-bromo-4-methoxy-5-(methoxymethoxy)-3-methylphenyl]methyl}-3,6-dioxopiperazin-2-ylidene]methyl}-4-methyl-2H-1,3-benzodioxol-5-yl 4-methylbenzene-1-sulfonate
- 1-Acetyl-3-[(Z)-6-(tosyloxy)-7-methyl-1,3-benzodioxole-5-ylmethylene]-6-[2-bromo-3-methyl-4-methoxy-5-(methoxymethoxy)benzyl]piperazine-2,5-dione
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