Chem
J-GLOBAL ID:200907072017943716   Nikkaji number:J1.486.444J

N-(Benzyloxycarbonyl)-O-[2-(acetylamino)-3-O-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-galactopyranosyl)-4-O,6-O-(di-tert-butylsilanediyl)-2-deoxy-α-D-galactopyranosyl]-L-serine benzyl ester

N-(ベンジルオキシカルボニル)-O-[2-(アセチルアミノ)-3-O-(2-O,3-O,4-O,6-O-テトラアセチル-β-D-ガラクトピラノシル)-4-O,6-O-(ジ-tert-ブチルシランジイル)-2-デオキシ-α-D-ガラクトピラノシル]-L-セリンベンジル
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: C48H66N2O19Si
Molecular formula furigana: C48-H66-N2-O19-SI
Molecular weight: 1003.136
InChI: InChI=1S/C48H66N2O19Si/c1-27(51)49-37-40(68-45-42(65-31(5)55)41(64-30(4)54)38(63-29(3)53)35(67-45)25-58-28(2)52)39-36(26-62-70(69-39,47(6,7)8)48(9,10)11)66-44(37)60-24-34(43(56)59-22-32-18-14-12-15-19-32)50-46(57)61-23-33-20-16-13-17-21-33/h12-21,34-42,44-45H,22-26H2,1-11H3,(H,49,51)(H,50,57)/t34-,35+,36+,37+,38-,39-,40+,41-,42+,44-,45-/m0/s1
InChI key: XVRBIGYIPDHCEF-RWGROBAQSA-N
SMILES: CC(=O)N[C@H]1[C@@H](OC[C@H](NC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)O[C@@H]2CO[Si](O[C@@H]2[C@@H]1O[C@@H]1O[C@H](COC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C)(C(C)(C)C)C(C)(C)C
Systematic name  (3):
  • N-(ベンジルオキシカルボニル)-O-[2-(アセチルアミノ)-3-O-(2-O,3-O,4-O,6-O-テトラアセチル-β-D-ガラクトピラノシル)-4-O,6-O-(ジ-tert-ブチルシランジイル)-2-デオキシ-α-D-ガラクトピラノシル]-L-セリンベンジル
  • ベンジル (2S)-3-{[(4aR,6S,7R,8R,8aR)-2,2-ジ-tert-ブチル-7-アセトアミド-8-{[(2R,3R,4S,5S,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]オキシ}-ヘキサヒドロ-2H-ピラノ[3,2-d][1,3,2]ジオキサシリン-6-イル]オキシ}-2-{[(ベンジルオキシ)カルボニル]アミノ}プロパノアート
  • benzyl (2S)-3-{[(4aR,6S,7R,8R,8aR)-2,2-di-tert-butyl-7-acetamido-8-{[(2R,3R,4S,5S,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-hexahydro-2H-pyrano[3,2-d][1,3,2]dioxasilin-6-yl]oxy}-2-{[(benzyloxy)carbonyl]amino}propanoate
Other name (1):
  • N-(Benzyloxycarbonyl)-O-[2-(acetylamino)-3-O-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-galactopyranosyl)-4-O,6-O-(di-tert-butylsilanediyl)-2-deoxy-α-D-galactopyranosyl]-L-serine benzyl ester
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