Chem
J-GLOBAL ID:200907057265049402   Nikkaji number:J806.205F

1-Formyl-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-ホルミル-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: C25H42N4O15
Molecular formula furigana: C25-H42-N4-O15
Molecular weight: 638.624
InChI: InChI=1S/C25H42N4O15/c1-9(34)26-4-12-18(37)22(13(5-30)29(12)8-33)43-25-17(28-11(3)36)21(40)23(15(7-32)42-25)44-24-16(27-10(2)35)20(39)19(38)14(6-31)41-24/h8,12-25,30-32,37-40H,4-7H2,1-3H3,(H,26,34)(H,27,35)(H,28,36)/t12-,13+,14+,15+,16+,17+,18+,19+,20+,21+,22+,23+,24-,25-/m0/s1
InChI key: DLRFDKNNBFEBFO-ICRRSCBFSA-N
SMILES: CC(=O)NC[C@H]1[C@@H](O)[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](CO)N1C=O
Systematic name  (3):
  • 1-ホルミル-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}-1-ホルミル-3-ヒドロキシ-5-(ヒドロキシメチル)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}-1-formyl-3-hydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl}acetamide
Other name (1):
  • 1-Formyl-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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