Chem
J-GLOBAL ID:200907048964920314   Nikkaji number:J1.568.773H

(R)-2-[3-(2-O,3-O,4-O,6-O-Tetraacetyl-β-D-glucopyranosyl)thioureido]-4-(phenylsulfonyl)butanoic acid

(R)-2-[3-(2-O,3-O,4-O,6-O-テトラアセチル-β-D-グルコピラノシル)チオウレイド]-4-(フェニルスルホニル)ブタン酸
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: C25H32N2O13S2
Molecular formula furigana: C25-H32-N2-O13-S2
Molecular weight: 632.650
InChI: InChI=1S/C25H32N2O13S2/c1-13(28)36-12-19-20(37-14(2)29)21(38-15(3)30)22(39-16(4)31)23(40-19)27-25(41)26-18(24(32)33)10-11-42(34,35)17-8-6-5-7-9-17/h5-9,18-23H,10-12H2,1-4H3,(H,32,33)(H2,26,27,41)/t18-,19-,20-,21+,22-,23-/m1/s1
InChI key: OSCFAWVYEGCTEZ-FHJOOOADSA-N
SMILES: CC(=O)OC[C@H]1O[C@@H](NC(=S)N[C@H](CCS(=O)(=O)c2ccccc2)C(=O)O)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C
Systematic name  (3):
  • (R)-2-[3-(2-O,3-O,4-O,6-O-テトラアセチル-β-D-グルコピラノシル)チオウレイド]-4-(フェニルスルホニル)ブタン酸
  • (2R)-4-(ベンゼンスルホニル)-2-({[(2R,3R,4S,5R,6R)-3,4,5-トリス(アセチルオキシ)-6-[(アセチルオキシ)メチル]オキサン-2-イル]カルバモチオイル}アミノ)ブタン酸
  • (2R)-4-(benzenesulfonyl)-2-({[(2R,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]carbamothioyl}amino)butanoic acid
Other name (1):
  • (R)-2-[3-(2-O,3-O,4-O,6-O-Tetraacetyl-β-D-glucopyranosyl)thioureido]-4-(phenylsulfonyl)butanoic acid
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