Chem
J-GLOBAL ID：200907069801137687   Nikkaji number：J954.869F

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

[4-[(3-O-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： C18H25NO7S
Molecular formula furigana： C18-H25-N-O7-S
Molecular weight： 399.460
InChI： InChI=1S/C18H25NO7S/c1-4-23-18(27)19-9-12-5-7-13(8-6-12)26-17-15(22)16(25-11(3)20)14(21)10(2)24-17/h5-8,10,14-17,21-22H,4,9H2,1-3H3,(H,19,27)/t10-,14-,15+,16+,17-/m0/s1
InChI key： NJYAUAIFROGDAK-NZLHIXKWSA-N
SMILES： CCOC(=S)NCc1ccc(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](OC(=O)C)[C@H]2O)cc1
Systematic name  (3)：
  • [4-[(3-O-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)-2-(4-{[(エトキシメタンチオイル)アミノ]メチル}フェノキシ)-3,5-ジヒドロキシ-6-メチルオキサン-4-イル アセタート
  • (2S,3R,4R,5S,6S)-2-(4-{[(ethoxymethanethioyl)amino]methyl}phenoxy)-3,5-dihydroxy-6-methyloxan-4-yl acetate
Other name (1)：
  • [4-[(3-O-Acetyl-6-deoxy-α-L-mannopyranosyl)oxy]benzyl]thiocarbamic acid O-ethyl ester
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