Rubrobramide
HIT214320180
sdf文件结构编辑类似物检索
HIT ID: HIT214320180
Cas No: 205386-57-8
分子式: C12H17NO5
分子量: 255.27
常用名: Rubrobramide
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,4R,7S,8S)-4-hydroxy-1-methyl-7-(2-methylpropyl)-9,10-dioxa-6-azatricyclo[5.2.1.0^{4,8}]decane-3,5-dione
IUPAC: (1S,4R,7S,8S)-4-hydroxy-1-methyl-7-(2-methylpropyl)-9,10-dioxa-6-azatricyclo[5.2.1.0^{4,8}]decane-3,5-dione
SMILES: [H][C@]12O[C@]3(C)CC(=O)[C@@]1(O)C(=O)N[C@@]2(CC(C)C)O3 |TLB:14:13:8.6.5:2,THB:9:8:13.18:2,10:8:13.18:2,12:13:8.6.5:2|
SMILES: [H][C@]12O[C@]3(C)CC(=O)[C@@]1(O)C(=O)N[C@@]2(CC(C)C)O3 |TLB:14:13:8.6.5:2,THB:9:8:13.18:2,10:8:13.18:2,12:13:8.6.5:2|
InChI key: DDXFYNDEHYHXPW-ANLIGXNLSA-N
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