Gal1-b-4GlcNAc-α-PNP
HIT219586231
sdf文件结构编辑类似物检索
HIT ID: HIT219586231
Cas No: 184377-56-8
分子式: C20H28N2O13
分子量: 504.445
常用名: Gal1-b-4GlcNAc-α-PNP
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: N-[(2R,3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamide
IUPAC: N-[(2R,3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamide
SMILES: CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@@H]1Oc1ccc(cc1)[N+]([O-])=O
SMILES: CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@@H]1Oc1ccc(cc1)[N+]([O-])=O
InChI key: XPNNKRYJIDEOHX-NQTLPEFZSA-N
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