Chem
J-GLOBAL ID：200907034391904156   Nikkaji number：J1.034.644D

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

N5-[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]-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： C21H36N4O13
Molecular formula furigana： C21-H36-N4-O13
Molecular weight： 552.534
InChI： InChI=1S/C21H36N4O13/c1-7(28)23-13-17(33)18(11(6-27)36-19(13)25-12(30)4-3-9(22)20(34)35)38-21-14(24-8(2)29)16(32)15(31)10(5-26)37-21/h9-11,13-19,21,26-27,31-33H,3-6,22H2,1-2H3,(H,23,28)(H,24,29)(H,25,30)(H,34,35)/t9-,10+,11+,13+,14+,15+,16+,17+,18+,19+,21-/m0/s1
InChI key： NNEWIWFTSLWZNF-KZIHXBGISA-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](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-[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-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]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-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl}butanoic acid
Other name (1)：
  • N5-[4-O-[2-(Acetylamino)-2-deoxy-β-D-glucopyranosyl]-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-L-glutamine
Thsaurus map：
Thesaurus Map

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