4-Methylumbelliferyl β-D-N,N',N'',N'''-tetraacetylchitotetraoside
HIT218546582
sdf文件结构编辑类似物检索
HIT ID: HIT218546582
Cas No: 53643-14-4
分子式: C42H60N4O23
分子量: 988.947
常用名: 4-Methylumbelliferyl β-D-N,N',N'',N'''-tetraacetylchitotetraoside
常用名: 4-Methylumbelliferyl β-D-N,N',N'',N'''-tetraacetylchitotetraoside
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: N-[(2S,3R,4R,5S,6R)-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-{[(2R,3S,4R,5R,6S)-5-acetamido-6-{[(2R,3S,4R,5R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]oxan-3-yl]oxy}-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
IUPAC: N-[(2S,3R,4R,5S,6R)-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-{[(2R,3S,4R,5R,6S)-5-acetamido-6-{[(2R,3S,4R,5R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]oxan-3-yl]oxy}-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILES: CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](Oc4ccc5c(C)cc(=O)oc5c4)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)[C@H](NC(C)=O)[C@H]1O
SMILES: CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](Oc4ccc5c(C)cc(=O)oc5c4)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)[C@H](NC(C)=O)[C@H]1O
InChI key: FMZCALJGBTWBDB-BGWTZNANSA-N
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