Chem
J-GLOBAL ID:200907031417593260   Nikkaji number:J1.842.459B

N-Tetradecyl-1-[2-[4-O-[3-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-β-D-galactopyranosyl]-β-D-glucopyranosyloxy]ethyl]-1H-1,2,3-triazole-4-carboxamide

N-テトラデシル-1-[2-[4-O-[3-O-[2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシル]-β-D-ガラクトピラノシル]-β-D-グルコピラノシルオキシ]エチル]-1H-1,2,3-トリアゾール-4-カルボアミド
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: C39H69N5O17
Molecular formula furigana: C39-H69-N5-O17
Molecular weight: 879.999
InChI: InChI=1S/C39H69N5O17/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-40-36(55)23-18-44(43-42-23)16-17-56-38-32(53)31(52)34(26(21-47)59-38)60-39-33(54)35(29(50)25(20-46)58-39)61-37-27(41-22(2)48)30(51)28(49)24(19-45)57-37/h18,24-35,37-39,45-47,49-54H,3-17,19-21H2,1-2H3,(H,40,55)(H,41,48)/t24-,25-,26-,27-,28-,29+,30-,31-,32-,33-,34-,35+,37+,38-,39+/m1/s1
InChI key: YCICUOQLVZWDIL-RLAAACGESA-N
SMILES: CCCCCCCCCCCCCCNC(=O)c1cn(CCO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(=O)C)[C@H]3O)[C@H](O)[C@H]2O)nn1
Systematic name  (3):
  • N-テトラデシル-1-[2-[4-O-[3-O-[2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシル]-β-D-ガラクトピラノシル]-β-D-グルコピラノシルオキシ]エチル]-1H-1,2,3-トリアゾール-4-カルボアミド
  • 1-(2-{[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5S,6R)-4-{[(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}-3,5-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}-3,4-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}エチル)-N-テトラデシル-1H-1,2,3-トリアゾール-4-カルボキサミド
  • 1-(2-{[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5S,6R)-4-{[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-N-tetradecyl-1H-1,2,3-triazole-4-carboxamide
Other name (1):
  • N-Tetradecyl-1-[2-[4-O-[3-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-β-D-galactopyranosyl]-β-D-glucopyranosyloxy]ethyl]-1H-1,2,3-triazole-4-carboxamide
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