[(5R,13S,14S,15R)-15,22,24-trihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-13-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate
[(5R,13S,14S,15R)-15,22,24-trihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-13-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate · CAS 82189-04-6
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [(5R,13S,14S,15R)-15,22,24-trihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-13-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate
- CAS
- 82189-04-6
- CID
- 5488864
- IUPAC 名称
- [(5R,13S,14S,15R)-15,22,24-trihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-13-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [(5R,13S,14S,15R)-15,22,24-trihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-13-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate
- CAS
- 82189-04-6
- CID
- 5488864
- IUPAC 名称
- [(5R,13S,14S,15R)-15,22,24-trihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-13-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate
分子属性
- 分子式
- C36H50N2O8
- 分子量
- 638.8 g/mol
- 精确质量
- 638.35671656 Da
- 单同位素质量
- 638.35671656 Da
- XLogP
- 5.5
- 极性表面积
- 154 Ų
- 氢键供体
- 5
- 氢键受体
- 8
- 可旋转键
- 6
- 重原子数
- 46
- 净电荷
- 0
- 结构复杂度
- 1110
结构标识
- InChIKey
- VVJDHJZQBGWPEQ-IJEIBRKASA-N
- SMILES
- C[C@@H]1[C@H](CC=CC=CC=C[C@@H](CC(=O)NC2=CC(=CC(=C2O)CCC=C([C@@H]1O)C)O)OC)OC(=O)[C@@H](C)NC(=O)C3CCCCC3
- InChI
- InChI=1S/C36H50N2O8/c1-23-14-13-17-27-20-28(39)21-30(34(27)42)38-32(40)22-29(45-4)18-11-6-5-7-12-19-31(24(2)33(23)41)46-36(44)25(3)37-35(43)26-15-9-8-10-16-26/h5-7,11-12,14,18,20-21,24-26,29,31,33,39,41-42H,8-10,13,15-17,19,22H2,1-4H3,(H,37,43)(H,38,40)/t24-,25-,29+,31+,33+/m1/s1