(3S,4aS,8aS)-N-tert-butyl-2-[(2R)-2-hydroxy-2-[(4S)-2-(3-hydroxy-2-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]ethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
(3S,4aS,8aS)-N-tert-butyl-2-[(2R)-2-hydroxy-2-[(4S)-2-(3-hydroxy-2-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]ethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide · CAS 188936-07-4
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (3S,4aS,8aS)-N-tert-butyl-2-[(2R)-2-hydroxy-2-[(4S)-2-(3-hydroxy-2-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]ethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
- CAS
- 188936-07-4
- CID
- 10695174
- IUPAC 名称
- (3S,4aS,8aS)-N-tert-butyl-2-[(2R)-2-hydroxy-2-[(4S)-2-(3-hydroxy-2-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]ethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (3S,4aS,8aS)-N-tert-butyl-2-[(2R)-2-hydroxy-2-[(4S)-2-(3-hydroxy-2-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]ethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
- CAS
- 188936-07-4
- CID
- 10695174
- IUPAC 名称
- (3S,4aS,8aS)-N-tert-butyl-2-[(2R)-2-hydroxy-2-[(4S)-2-(3-hydroxy-2-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]ethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
分子属性
- 分子式
- C26H39N3O4
- 分子量
- 457.6 g/mol
- 精确质量
- 457.29405673 Da
- 单同位素质量
- 457.29405673 Da
- XLogP
- 3.7
- 极性表面积
- 94.4 Ų
- 氢键供体
- 3
- 氢键受体
- 6
- 可旋转键
- 6
- 重原子数
- 33
- 净电荷
- 0
- 结构复杂度
- 721
结构标识
- InChIKey
- ZRYANTNFGRJTJS-ZEVUWQFRSA-N
- SMILES
- CC1=C(C=CC=C1O)C2=N[C@@H](CO2)[C@@H](CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O
- InChI
- InChI=1S/C26H39N3O4/c1-16-19(10-7-11-22(16)30)25-27-20(15-33-25)23(31)14-29-13-18-9-6-5-8-17(18)12-21(29)24(32)28-26(2,3)4/h7,10-11,17-18,20-21,23,30-31H,5-6,8-9,12-15H2,1-4H3,(H,28,32)/t17-,18+,20-,21-,23+/m0/s1