Chem
J-GLOBAL ID：200907068556428003   Nikkaji number：J1.352.189A

3-[[(1S)-1-(Benzyloxycarbonyl)-4α-(benzyloxy)pyrrolidine-3α-yl]oxy]-2H-1,5-benzodithiepin 1,5-dioxide

3-[[(1S)-1-(ベンジルオキシカルボニル)-4α-(ベンジルオキシ)ピロリジン-3α-イル]オキシ]-2H-1,5-ベンゾジチエピン1,5-ジオキシド
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： C28H27NO4[O-]2[S+]2
Molecular formula furigana： C28-H27-N-O6-S2
Molecular weight： 537.650
InChI： InChI=1S/C28H27NO6S2/c30-28(34-18-22-11-5-2-6-12-22)29-15-24(33-17-21-9-3-1-4-10-21)25(16-29)35-23-19-36(31)26-13-7-8-14-27(26)37(32)20-23/h1-14,19,24-25H,15-18,20H2/t24-,25+,36?,37?/m1/s1
InChI key： STXBZOSVXMEMAK-KGDQJVGLSA-N
SMILES： [O-][S+]1CC(=C[S+]([O-])c2ccccc12)O[C@H]1CN(C[C@H]1OCc1ccccc1)C(=O)OCc1ccccc1
Systematic name  (3)：
  • 3-[[(1S)-1-(ベンジルオキシカルボニル)-4α-(ベンジルオキシ)ピロリジン-3α-イル]オキシ]-2H-1,5-ベンゾジチエピン1,5-ジオキシド
  • 3-{[(3S,4R)-4-(ベンジルオキシ)-1-[(ベンジルオキシ)カルボニル]ピロリジン-3-イル]オキシ}-4,5-ジヒドロ-1H-1,5-ベンゾジチエピン-1,5-ジイウム-1,5-ビス(オラート)
  • 3-{[(3S,4R)-4-(benzyloxy)-1-[(benzyloxy)carbonyl]pyrrolidin-3-yl]oxy}-4,5-dihydro-1H-1,5-benzodithiepine-1,5-diium-1,5-bis(olate)
Other name (1)：
  • 3-[[(1S)-1-(Benzyloxycarbonyl)-4α-(benzyloxy)pyrrolidine-3α-yl]oxy]-2H-1,5-benzodithiepin 1,5-dioxide
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