Chem
J-GLOBAL ID：200907057450790844   Nikkaji number：J806.206D

1-Methyl-2β-(acetylaminomethyl)-3β-hydroxy-5β-(hydroxymethyl)pyrrolidin-4α-yl 4-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-2-(acetylamino)-2-deoxy-β-D-glucopyranoside

1-メチル-2β-(アセチルアミノメチル)-3β-ヒドロキシ-5β-(ヒドロキシメチル)ピロリジン-4α-イル4-O-[2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシル]-2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシド
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： C25H44N4O14
Molecular formula furigana： C25-H44-N4-O14
Molecular weight： 624.641
InChI： InChI=1S/C25H44N4O14/c1-9(33)26-5-12-18(36)22(13(6-30)29(12)4)42-25-17(28-11(3)35)21(39)23(15(8-32)41-25)43-24-16(27-10(2)34)20(38)19(37)14(7-31)40-24/h12-25,30-32,36-39H,5-8H2,1-4H3,(H,26,33)(H,27,34)(H,28,35)/t12-,13+,14+,15+,16+,17+,18+,19+,20+,21+,22+,23+,24-,25-/m0/s1
InChI key： PIEQRFQUJFXWGL-ICRRSCBFSA-N
SMILES： CN1[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(=O)C)[C@H](O)[C@H]2NC(=O)C)[C@H](O)[C@@H]1CNC(=O)C
Systematic name  (3)：
  • 1-メチル-2β-(アセチルアミノメチル)-3β-ヒドロキシ-5β-(ヒドロキシメチル)ピロリジン-4α-イル4-O-[2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシル]-2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシド
  • N-{[(2S,3R,4R,5R)-4-{[(2R,3R,4R,5S,6R)-3-アセトアミド-5-{[(2S,3R,4R,5S,6R)-3-アセトアミド-4,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-4-ヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-3-ヒドロキシ-5-(ヒドロキシメチル)-1-メチルピロリジン-2-イル]メチル}アセトアミド
  • N-{[(2S,3R,4R,5R)-4-{[(2R,3R,4R,5S,6R)-3-acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)-1-methylpyrrolidin-2-yl]methyl}acetamide
Other name (1)：
  • 1-Methyl-2β-(acetylaminomethyl)-3β-hydroxy-5β-(hydroxymethyl)pyrrolidin-4α-yl 4-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-2-(acetylamino)-2-deoxy-β-D-glucopyranoside
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