Chem
J-GLOBAL ID：200907090199061487   Nikkaji number：J1.609.016F

N-Acetyl-1-O-allyl-4-O-[2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-2-deoxy-β-D-glucopyranosyl]-β-D-glucosamine

N-アセチル-1-O-アリル-4-O-[2-(アセチルアミノ)-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-デオキシ-β-D-グルコピラノシル]-β-D-グルコサミン
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： C27H45N3O16
Molecular formula furigana： C27-H45-N3-O16
Molecular weight： 667.662
InChI： InChI=1S/C27H45N3O16/c1-5-6-41-25-17(29-11(3)35)21(39)23(14(8-32)43-25)46-27-18(30-12(4)36)22(40)24(15(9-33)44-27)45-26-16(28-10(2)34)20(38)19(37)13(7-31)42-26/h5,13-27,31-33,37-40H,1,6-9H2,2-4H3,(H,28,34)(H,29,35)(H,30,36)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26+,27+/m1/s1
InChI key： QQWXJNNCKWUPQZ-YMVFDXAWSA-N
SMILES： CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@H](OCC=C)O[C@@H]2CO)O[C@@H]1CO
Systematic name  (3)：
  • N-アセチル-1-O-アリル-4-O-[2-(アセチルアミノ)-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-デオキシ-β-D-グルコピラノシル]-β-D-グルコサミン
  • N-[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R,6S)-5-アセトアミド-6-{[(2R,3S,4R,5R,6R)-5-アセトアミド-4-ヒドロキシ-2-(ヒドロキシメチル)-6-(プロパ-2-エン-1-イルオキシ)オキサン-3-イル]オキシ}-4-ヒドロキシ-2-(ヒドロキシメチル)オキサン-3-イル]オキシ}-4,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-3-イル]アセトアミド
  • N-[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R,6S)-5-acetamido-6-{[(2R,3S,4R,5R,6R)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(prop-2-en-1-yloxy)oxan-3-yl]oxy}-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Other name (1)：
  • N-Acetyl-1-O-allyl-4-O-[2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-2-deoxy-β-D-glucopyranosyl]-β-D-glucosamine
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