Chem
J-GLOBAL ID：200907071512620897   Nikkaji number：J1.609.019K

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

N-アセチル-4-O-[2-(アセチルアミノ)-4-O-[2-(アセチルアミノ)-4-O-[2-(tert-ブトキシカルボニルアミノ)-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]-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： C35H60N4O22
Molecular formula furigana： C35-H60-N4-O22
Molecular weight： 888.871
InChI： InChI=1S/C35H60N4O22/c1-11(44)36-18-24(49)27(15(8-41)54-30(18)52)58-32-20(37-12(2)45)26(51)29(17(10-43)56-32)60-33-21(38-13(3)46)25(50)28(16(9-42)57-33)59-31-19(39-34(53)61-35(4,5)6)23(48)22(47)14(7-40)55-31/h14-33,40-43,47-52H,7-10H2,1-6H3,(H,36,44)(H,37,45)(H,38,46)(H,39,53)/t14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+/m1/s1
InChI key： LJFNSKLBJZJOFQ-NDKNBMRYSA-N
SMILES： CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(=O)OC(C)(C)C)[C@H](O)[C@H]3NC(=O)C)[C@H](O)[C@H]2NC(=O)C)[C@@H]1O
Systematic name  (3)：
  • N-アセチル-4-O-[2-(アセチルアミノ)-4-O-[2-(アセチルアミノ)-4-O-[2-(tert-ブトキシカルボニルアミノ)-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]-2-デオキシ-β-D-グルコピラノシル]-β-D-グルコサミン
  • tert-ブチル N-[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R,6S)-5-アセトアミド-6-{[(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-4,6-ジヒドロキシ-2-(ヒドロキシメチル)オキサン-3-イル]オキシ}-4-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-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]カルバマート
  • tert-butyl N-[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R,6S)-5-acetamido-6-{[(2R,3S,4R,5R,6S)-5-acetamido-6-{[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate
Other name (1)：
  • N-Acetyl-4-O-[2-(acetylamino)-4-O-[2-(acetylamino)-4-O-[2-(tert-butoxycarbonylamino)-2-deoxy-β-D-glucopyranosyl]-2-deoxy-β-D-glucopyranosyl]-2-deoxy-β-D-glucopyranosyl]-β-D-glucosamine
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