Chem
J-GLOBAL ID:200907011863542580   Nikkaji number:J1.902.036C

Tubacin

ツバシン
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: C41H43N3O7S
Molecular formula furigana: C41-H43-N3-O7-S
Molecular weight: 721.870
InChI: InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)
InChI key: BHUZLJOUHMBZQY-UHFFFAOYSA-N
SMILES: OCc1ccc(cc1)C1CC(CSc2nc(c(o2)c2ccccc2)c2ccccc2)OC(O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
Systematic name  (3):
  • N′-ヒドロキシ-N-[4-[4-(4,5-ジフェニルオキサゾール-2-イルチオメチル)-6-(4-ヒドロキシメチルフェニル)-1,3-ジオキサン-2-イル]フェニル]オクタンジアミド
  • N'-[4-(4-{[(4,5-ジフェニル-1,3-オキサゾール-2-イル)スルファニル]メチル}-6-[4-(ヒドロキシメチル)フェニル]-1,3-ジオキサン-2-イル)フェニル]-N-ヒドロキシオクタンジアミド
  • N'-[4-(4-{[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]methyl}-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl)phenyl]-N-hydroxyoctanediamide
Other name (3):
  • N′-Hydroxy-N-[4-[4-(4,5-diphenyloxazole-2-ylthiomethyl)-6-(4-hydroxymethylphenyl)-1,3-dioxane-2-yl]phenyl]octanediamide
  • ツバシン
  • Tubacin
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