Chem
J-GLOBAL ID：200907073479872667   Nikkaji number：J1.034.642H

N5-[4-O-[4-O-[2-(Acetylamino)-2-deoxy-β-D-glucopyranosyl]-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-L-glutamine

N5-[4-O-[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-グルコピラノシル]-2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシル]-L-グルタミン
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： C29H49N5O18
Molecular formula furigana： C29-H49-N5-O18
Molecular weight： 755.728
InChI： InChI=1S/C29H49N5O18/c1-9(38)31-17-22(44)24(14(7-36)48-26(17)34-16(41)5-4-12(30)27(46)47)51-29-19(33-11(3)40)23(45)25(15(8-37)50-29)52-28-18(32-10(2)39)21(43)20(42)13(6-35)49-28/h12-15,17-26,28-29,35-37,42-45H,4-8,30H2,1-3H3,(H,31,38)(H,32,39)(H,33,40)(H,34,41)(H,46,47)/t12-,13+,14+,15+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,28-,29-/m0/s1
InChI key： AMWZPTAZYOOQBR-GUFWSBKMSA-N
SMILES： CC(=O)N[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)O[C@H]1NC(=O)CC[C@H](N)C(=O)O
Systematic name  (3)：
  • N5-[4-O-[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-グルコピラノシル]-2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシル]-L-グルタミン
  • (2S)-2-アミノ-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-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}-4-ヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]カルバモイル}ブタン酸
  • (2S)-2-amino-4-{[(2R,3R,4R,5S,6R)-3-acetamido-5-{[(2S,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}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl}butanoic acid
Other name (1)：
  • N5-[4-O-[4-O-[2-(Acetylamino)-2-deoxy-β-D-glucopyranosyl]-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-L-glutamine
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