TA 077
HIT219159042
sdf文件结构编辑类似物检索
HIT ID: HIT219159042
Cas No: 70189-62-7
分子式: C19H34ClN3O12
分子量: 531.94
常用名: TA 077
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 3-(2-chloroethyl)-1-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]-1-(2-methylpropyl)-3-nitrosourea
IUPAC: 3-(2-chloroethyl)-1-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]-1-(2-methylpropyl)-3-nitrosourea
SMILES: CC(C)CN([C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)C(=O)N(CCCl)N=O
SMILES: CC(C)CN([C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)C(=O)N(CCCl)N=O
InChI key: FTBIJUNCCGTXHL-YMJSIHPXSA-N
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