Chem
J-GLOBAL ID：200907017756231227   Nikkaji number：J1.736.675K

N-Hydroxy-N′-[4-[(2S,4S,6R)-4-[(benzothiazole-2-ylthio)methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxane-2-yl]phenyl]octanediamide

N-ヒドロキシ-N′-[4-[(2S,4S,6R)-4-[(ベンゾチアゾール-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
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： C33H37N3O6S2
Molecular formula furigana： C33-H37-N3-O6-S2
Molecular weight： 635.790
InChI： InChI=1S/C33H37N3O6S2/c37-20-22-11-13-23(14-12-22)28-19-26(21-43-33-35-27-7-5-6-8-29(27)44-33)41-32(42-28)24-15-17-25(18-16-24)34-30(38)9-3-1-2-4-10-31(39)36-40/h5-8,11-18,26,28,32,37,40H,1-4,9-10,19-21H2,(H,34,38)(H,36,39)/t26-,28+,32+/m0/s1
InChI key： WBUPGIVCFDSJSP-JJBCFNDASA-N
SMILES： OCc1ccc(cc1)[C@H]1C[C@@H](CSc2nc3ccccc3s2)O[C@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
Systematic name  (3)：
  • N-ヒドロキシ-N′-[4-[(2S,4S,6R)-4-[(ベンゾチアゾール-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-[(2S,4S,6R)-4-[(1,3-ベンゾチアゾール-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-[(2S,4S,6R)-4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl}-N-hydroxyoctanediamide
Other name (1)：
  • N-Hydroxy-N′-[4-[(2S,4S,6R)-4-[(benzothiazole-2-ylthio)methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxane-2-yl]phenyl]octanediamide
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