Chemical Compound
methyl (2S,4S,5R,6R)-4-(acetyloxy)-2-{[(1R,2R)-1-(acetyloxy)-1-[(1R,3R,4S,8S)-8-(acetyloxy)-6-oxo-1-(phenylsulfanyl)-2-oxa-5-azabicyclo[2.2.2]octan-3-yl]-3-(benzyloxy)propan-2-yl]oxy}-5-{[(triphenylmethoxy)carbonyl]amino}-6-[(1S,2R)-1,2,3-tris(acetyloxy)propyl]oxane-2-carboxylate
Primary record
methyl (2S,4S,5R,6R)-4-(acetyloxy)-2-{[(1R,2R)-1-(acetyloxy)-1-[(1R,3R,4S,8S)-8-(acetyloxy)-6-oxo-1-(phenylsulfanyl)-2-oxa-5-azabicyclo[2.2.2]octan-3-yl]-3-(benzyloxy)propan-2-yl]oxy}-5-{[(triphenylmethoxy)carbonyl]amino}-6-[(1S,2R)-1,2,3-tris(acetyloxy)propyl]oxane-2-carboxylate
- 库存
- 550 克
- 纯度
- 98.1 %
化合物标识与属性
- PubChem CID
- 177501345
- SMILES
- CC(=O)OC[C@H]([C@H]([C@H]1[C@@H]([C@H](C[C@@](O1)(C(=O)OC)O[C@H](COCC2=CC=CC=C2)[C@@H]([C@H]3[C@@H]4[C@H](C[C@](O3)(C(=O)N4)SC5=CC=CC=C5)OC(=O)C)OC(=O)C)OC(=O)C)NC(=O)OC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)OC(=O)C)OC(=O)C
- Canonical SMILES
- COC(=O)[C@@]1(O[C@H](COCc2ccccc2)[C@H](OC(C)=O)[C@@H]2O[C@@]3(Sc4ccccc4)C[C@H](OC(C)=O)[C@@H]2NC3=O)C[C@H](OC(C)=O)[C@@H](NC(=O)OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]([C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)O1
名称与同义词
- J2.252.490I
- 2-O-[(1R,2R)-1-[(Benzyloxy)methyl]-2-acetoxy-2-[(1R,3R,4S,8S)-1-(phenylthio)-6-oxo-8-acetoxy-2-oxa-5-azabicyclo[2.2.2]octane-3-yl]ethyl]-4-O,7-O,8-O,9-O-tetraacetyl-N-(trityloxycarbonyl)-alpha-neuraminic acid methyl ester
- methyl (2S,4S,5R,6R)-4-(acetyloxy)-2-{[(1R,2R)-1-(acetyloxy)-1-[(1R,3R,4S,8S)-8-(acetyloxy)-6-oxo-1-(phenylsulfanyl)-2-oxa-5-azabicyclo[2.2.2]octan-3-yl]-3-(benzyloxy)propan-2-yl]oxy}-5-{[(triphenylmethoxy)carbonyl]amino}-6-[(1S,2R)-1,2,3-tris(acetyloxy)propyl]oxane-2-carboxylate