Chem
J-GLOBAL ID:200907075375219948   Nikkaji number:J2.661.607G

N-[2-[[2-O,3-O,6-O-Triacetyl-4-O-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-galactopyranosyl)-β-D-glucopyranosyl]oxy]ethyl]-5′-methyl-2,2′-bipyridine-5-carboxamide

N-[2-[[2-O,3-O,6-O-トリアセチル-4-O-(2-O,3-O,4-O,6-O-テトラアセチル-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]-5′-メチル-2,2′-ビピリジン-5-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: C40H49N3O19
Molecular formula furigana: C40-H49-N3-O19
Molecular weight: 875.834
InChI: InChI=1S/C40H49N3O19/c1-19-9-11-28(42-15-19)29-12-10-27(16-43-29)38(51)41-13-14-52-39-36(58-25(7)49)35(57-24(6)48)33(31(60-39)18-54-21(3)45)62-40-37(59-26(8)50)34(56-23(5)47)32(55-22(4)46)30(61-40)17-53-20(2)44/h9-12,15-16,30-37,39-40H,13-14,17-18H2,1-8H3,(H,41,51)/t30-,31-,32+,33-,34+,35+,36-,37-,39-,40+/m1/s1
InChI key: SGKZFMSZZLURET-VSDDRHBQSA-N
SMILES: CC(=O)OC[C@H]1O[C@@H](OCCNC(=O)c2ccc(nc2)c2ccc(C)cn2)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1O[C@@H]1O[C@H](COC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C
Systematic name  (3):
  • N-[2-[[2-O,3-O,6-O-トリアセチル-4-O-(2-O,3-O,4-O,6-O-テトラアセチル-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]-5′-メチル-2,2′-ビピリジン-5-カルボアミド
  • [(2R,3R,4S,5R,6R)-4,5-ビス(アセチルオキシ)-6-[2-({5'-メチル-[2,2'-ビピリジン]-5-イル}ホルムアミド)エトキシ]-3-{[(2S,3R,4S,5S,6R)-3,4,5-トリス(アセチルオキシ)-6-[(アセチルオキシ)メチル]オキサン-2-イル]オキシ}オキサン-2-イル]メチル アセタート
  • [(2R,3R,4S,5R,6R)-4,5-bis(acetyloxy)-6-[2-({5'-methyl-[2,2'-bipyridin]-5-yl}formamido)ethoxy]-3-{[(2S,3R,4S,5S,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate
Other name (1):
  • N-[2-[[2-O,3-O,6-O-Triacetyl-4-O-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-galactopyranosyl)-β-D-glucopyranosyl]oxy]ethyl]-5′-methyl-2,2′-bipyridine-5-carboxamide
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