Chem
J-GLOBAL ID:200907076638732994   Nikkaji number:J1.134.235C

N4-(2-O,3-O,4-O,6-O-Tetraacetyl-β-D-glucopyranosyl)-N2-(benzoyloxycarbonyl)-L-asparagine benzyl ester

N4-(2-O,3-O,4-O,6-O-テトラアセチル-β-D-グルコピラノシル)-N2-(ベンゾイルオキシカルボニル)-L-アスパラギンベンジル
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: C33H36N2O15
Molecular formula furigana: C33-H36-N2-O15
Molecular weight: 700.650
InChI: InChI=1S/C33H36N2O15/c1-18(36)44-17-25-27(46-19(2)37)28(47-20(3)38)29(48-21(4)39)30(49-25)35-26(40)15-24(32(42)45-16-22-11-7-5-8-12-22)34-33(43)50-31(41)23-13-9-6-10-14-23/h5-14,24-25,27-30H,15-17H2,1-4H3,(H,34,43)(H,35,40)/t24-,25+,27+,28-,29+,30+/m0/s1
InChI key: XAFVNMAQLBKSKF-XXAVWSCOSA-N
SMILES: CC(=O)OC[C@H]1O[C@@H](NC(=O)C[C@H](NC(=O)OC(=O)c2ccccc2)C(=O)OCc2ccccc2)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C
Systematic name  (3):
  • N4-(2-O,3-O,4-O,6-O-テトラアセチル-β-D-グルコピラノシル)-N2-(ベンゾイルオキシカルボニル)-L-アスパラギンベンジル
  • ベンジル (2S)-2-{[(ベンゾイルオキシ)カルボニル]アミノ}-3-{[(2R,3R,4S,5R,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]カルバモイル}プロパノアート
  • benzyl (2S)-2-{[(benzoyloxy)carbonyl]amino}-3-{[(2R,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]carbamoyl}propanoate
Other name (1):
  • N4-(2-O,3-O,4-O,6-O-Tetraacetyl-β-D-glucopyranosyl)-N2-(benzoyloxycarbonyl)-L-asparagine benzyl ester
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