(2S,3R,5S)-5-[(N-甲酰-L-亮氨酰)氧]-2-己基-3-羟基十六烷酸 | 130793-28-1
(2S,3R,5S)-5-[(N-甲酰-L-亮氨酰)氧]-2-己基-3-羟基十六烷酸
(2S,3R,5S)-5-(N-Formyl-L-leucyl)oxy-2-hexyl-3-hydroxyhexadecanoic Acid (Orlistat Impurity)
130793-28-1
C29H55NO6
513.7501
名称和标识符
InChIKey |
FKUNIADJSAJLGB-YYGZZXRFSA-N |
Inchi |
1S/C29H55NO6/c1-5-7-9-11-12-13-14-15-16-18-24(36-29(35)26(30-22-31)20-23(3)4)21-27(32)25(28(33)34)19-17-10-8-6-2/h22-27,32H,5-21H2,1-4H3,(H,30,31)(H,33,34)/t24-,25+,26-,27+/m0/s1 |
SMILES |
O(C([C@]([H])(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])N([H])C([H])=O)=O)[C@@]([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])[C@]([H])([C@]([H])(C(=O)O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[H] |
别名信息
- 中文别名 -
- 奥利司他杂质
- (2S,3R,5S)-5-[(N-甲酰基亮氨酰)氧基]-2-己基-3-羟基十六烷酸
- 奥利司他相关化合物
- (2S,3R,5S)-5-[(N-甲酰-L-亮氨酰)氧]-2-己基-3-羟基十六烷酸
- 奥利司他开环杂质(2S,3R,5S)异构体
- 英文别名 -
-  
- (2S, 3R, 5S)-5-[(N-Formyl-L-leucyl)oxy]-2-hexyl-3-hydroxyhexadecanoic acid
- (2S,3R,5S)-5-[(N-Formyl-L-leucyl)oxy]-2-hexyl-3-hydroxyhexadecanoic Acid
(Orlistat Impurity)
- (2S,3R,5S)-5-[(N-FORMYL-L-LEUCYL)OXY]-2-HEXYL-3-HYDROXYHEXADECANOIC ACID (ORLISTAT IMPURITY)
- (2S,3S,5S)-5-[[(S)-2-(Formylamino)-4-methylpentanoyl]oxy]-2-hexyl-3-hydroxyhexadecanoic Acid
- Orlistat Impurity
- Orlistat Open Ring Impurity (2S,3R,5S)-Isomer
- (2S,3R,5S)-5-[(N-Formyl-L-leucyl)oxy]-2-hexyl-3-hydroxyhexadecanoic Acid (Orlistat Impurity)
- N-ForMyl-L-leucine(1S)-1-[(2S,3S)-2-hydroxy-3-[(R)-1-phenylethylcarboMoyl)]
nonyl]dodecyl Ester
(Orlistat IMpurity)
- N-ForMyl-L-leucine(1S)-1-[(2S,3S)-2-hydroxy-3-[(R)-1-phenylethylcarboMoyl)]
nonyl]dodecyl-d3 Ester
(Orlistat IMpurity)
- orlistat open ring epimer
- F0N5S1WW2U
- (2S,3R,5S)-5-[(2S)-2-formamido-4-methylpentanoyl]oxy-2-hexyl-3-hydroxyhexadecanoic acid
- (2S,3R,5S)-5-[(N-Formyl-L-leucyl)oxy]-2-hexyl-3-hydroxyhexadecanoic acid
- L-Leucine, N-formyl-, (1S)-1-[(2R,3S)-3-carboxy-2-hydroxynonyl]dodecyl ester
- L-Leucine, N-formyl-, (1S)-1-((2R,3S)-3-carboxy-2-hydroxynonyl)dodecyl ester
- (Orlistat Impurity)
- (Orlist
物化性质
实验特性
LogP |
7.42880 |
PSA |
112.93000 |
计算特性
精确分子量 |
513.40300 |
氢键供体数量 |
3 |
氢键受体数量 |
6 |
可旋转化学键数量 |
25 |
同位素质量 |
513.40293847 g/mol |
重原子数量 |
36 |
复杂度 |
568 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
4 |
不确定原子立构中心数量 |
0 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
9.2 |
拓扑分子极性表面积 |
113 |
分子量 |
513.7 |
(2S,3R,5S)-5-[(N-甲酰-L-亮氨酰)氧]-2-己基-3-羟基十六烷酸推荐生产厂家
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