Chem
J-GLOBAL ID:200907018471166584   Nikkaji number:J1.917.620G

S-[3-O,4-O,6-O-Triacetyl-2-(2,2,2-trichloroethoxycarbonylamino)-2-deoxy-β-D-glucopyranosyl]-N-Boc-Hcy-Ala-OBzl

S-[3-O,4-O,6-O-トリアセチル-2-(2,2,2-トリクロロエ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]-N-Boc-Hcy-Ala-OBzl
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: C34H46Cl3N3O14S
Molecular formula furigana: C34-H46-CL3-N3-O14-S
Molecular weight: 859.160
InChI: InChI=1S/C34H46Cl3N3O14S/c1-18(29(45)49-15-22-11-9-8-10-12-22)38-28(44)23(39-32(47)54-33(5,6)7)13-14-55-30-25(40-31(46)50-17-34(35,36)37)27(52-21(4)43)26(51-20(3)42)24(53-30)16-48-19(2)41/h8-12,18,23-27,30H,13-17H2,1-7H3,(H,38,44)(H,39,47)(H,40,46)/t18-,23-,24+,25+,26+,27+,30-/m0/s1
InChI key: LBUOJZBTSOPWPW-PKQSPGIRSA-N
SMILES: C[C@H](NC(=O)[C@H](CCS[C@@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1NC(=O)OCC(Cl)(Cl)Cl)NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1
Systematic name  (3):
  • S-[3-O,4-O,6-O-トリアセチル-2-(2,2,2-トリクロロエ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]-N-Boc-Hcy-Ala-OBzl
  • ベンジル (2S)-2-[(2S)-4-{[(2S,3R,4R,5S,6R)-4,5-ビス(アセチルオキシ)-6-[(アセチルオキシ)メチル]-3-{[(2,2,2-トリクロロエトキシ)カルボニル]アミノ}オキサン-2-イル]スルファニル}-2-{[(tert-ブトキシ)カルボニル]アミノ}ブタンアミド]プロパノアート
  • benzyl (2S)-2-[(2S)-4-{[(2S,3R,4R,5S,6R)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-3-{[(2,2,2-trichloroethoxy)carbonyl]amino}oxan-2-yl]sulfanyl}-2-{[(tert-butoxy)carbonyl]amino}butanamido]propanoate
Other name (1):
  • S-[3-O,4-O,6-O-Triacetyl-2-(2,2,2-trichloroethoxycarbonylamino)-2-deoxy-β-D-glucopyranosyl]-N-Boc-Hcy-Ala-OBzl
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