Chem
J-GLOBAL ID:201007078713226270   Nikkaji number:J2.824.043K

1-O-Propyl-N-acetyl-3-O-[(R)-1-(ethoxycarbonyl)ethyl]-4-O-(2-amino-2-deoxy-β-D-glucopyranosyl)-α-D-glucosamine

1-O-プロピル-N-アセチル-3-O-[(R)-1-(エトキシカルボニル)エチル]-4-O-(2-アミノ-2-デオキシ-β-D-グルコピラノシル)-α-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: C22H40N2O12
Molecular formula furigana: C22-H40-N2-O12
Molecular weight: 524.564
InChI: InChI=1S/C22H40N2O12/c1-5-7-32-22-15(24-11(4)27)19(33-10(3)20(30)31-6-2)18(13(9-26)35-22)36-21-14(23)17(29)16(28)12(8-25)34-21/h10,12-19,21-22,25-26,28-29H,5-9,23H2,1-4H3,(H,24,27)/t10-,12-,13-,14-,15-,16-,17-,18-,19-,21+,22+/m1/s1
InChI key: UCCBTUGXACCDRV-RUYHIXLRSA-N
SMILES: CCCO[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@H](O[C@H](C)C(=O)OCC)[C@H]1NC(=O)C
Systematic name  (3):
  • 1-O-プロピル-N-アセチル-3-O-[(R)-1-(エトキシカルボニル)エチル]-4-O-(2-アミノ-2-デオキシ-β-D-グルコピラノシル)-α-D-グルコサミン
  • エチル (2R)-2-{[(2R,3S,4R,5R,6S)-3-{[(2S,3R,4R,5S,6R)-3-アミノ-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}-5-アセトアミド-2-(ヒドロキシメチル)-6-プロポキシオキサン-4-イル]オキシ}プロパノアート
  • ethyl (2R)-2-{[(2R,3S,4R,5R,6S)-3-{[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-acetamido-2-(hydroxymethyl)-6-propoxyoxan-4-yl]oxy}propanoate
Other name (1):
  • 1-O-Propyl-N-acetyl-3-O-[(R)-1-(ethoxycarbonyl)ethyl]-4-O-(2-amino-2-deoxy-β-D-glucopyranosyl)-α-D-glucosamine
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