Chem
J-GLOBAL ID：200907025981468891   Nikkaji number：J954.870J

[4-[(2-O,3-O-Diacetyl-6-deoxy-α-L-mannopyranosyl)oxy]benzyl]thiocarbamic acid O-ethyl ester

[4-[(2-O,3-O-ジアセチル-6-デオキシ-α-L-マンノピラノシル)オキシ]ベンジル]チオカルバミド酸O-エチル
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： C20H27NO8S
Molecular formula furigana： C20-H27-N-O8-S
Molecular weight： 441.500
InChI： InChI=1S/C20H27NO8S/c1-5-25-20(30)21-10-14-6-8-15(9-7-14)29-19-18(28-13(4)23)17(27-12(3)22)16(24)11(2)26-19/h6-9,11,16-19,24H,5,10H2,1-4H3,(H,21,30)/t11-,16-,17+,18+,19-/m0/s1
InChI key： NZMVKOKRWOJERY-RNTHYAPCSA-N
SMILES： CCOC(=S)NCc1ccc(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](OC(=O)C)[C@H]2OC(=O)C)cc1
Systematic name  (3)：
  • [4-[(2-O,3-O-ジアセチル-6-デオキシ-α-L-マンノピラノシル)オキシ]ベンジル]チオカルバミド酸O-エチル
  • (2S,3R,4R,5S,6S)-3-(アセチルオキシ)-2-(4-{[(エトキシメタンチオイル)アミノ]メチル}フェノキシ)-5-ヒドロキシ-6-メチルオキサン-4-イル アセタート
  • (2S,3R,4R,5S,6S)-3-(acetyloxy)-2-(4-{[(ethoxymethanethioyl)amino]methyl}phenoxy)-5-hydroxy-6-methyloxan-4-yl acetate
Other name (1)：
  • [4-[(2-O,3-O-Diacetyl-6-deoxy-α-L-mannopyranosyl)oxy]benzyl]thiocarbamic acid O-ethyl ester
Thsaurus map：
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