9-tert-Butyldoxycycline
HIT219250789
sdf文件结构编辑类似物检索
HIT ID: HIT219250789
Cas No: 233585-94-9
分子式: C26H32N2O8
分子量: 500.548
常用名: 9-tert-Butyldoxycycline
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (4S,4aR,5S,5aR,6R,12aS)-9-tert-butyl-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
IUPAC: (4S,4aR,5S,5aR,6R,12aS)-9-tert-butyl-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
SMILES: [H][C@@]12[C@@H](C)c3ccc(c(O)c3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])[C@H]2O)C(C)(C)C
SMILES: [H][C@@]12[C@@H](C)c3ccc(c(O)c3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])[C@H]2O)C(C)(C)C
InChI key: HUUJKFNLVGUUPF-LDJCAIMCSA-N
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