Z-伐昔洛韦 | 124832-31-1
Z-伐昔洛韦
N-(Phenylmethoxy)carbonyl-L-valine 2-(2-Amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxyethyl Ester
124832-31-1
C21H26N6O6
458.46774
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:Z-伐昔洛韦结构式
名称和标识符
MDL |
MFCD08273968 |
InChIKey |
ZQSUAJRZJTUOEA-HNNXBMFYSA-N |
Inchi |
1S/C21H26N6O6/c1-13(2)15(24-21(30)33-10-14-6-4-3-5-7-14)19(29)32-9-8-31-12-27-11-23-16-17(27)25-20(22)26-18(16)28/h3-7,11,13,15H,8-10,12H2,1-2H3,(H,24,30)(H3,22,25,26,28)/t15-/m0/s1 |
SMILES |
CC([C@H](NC(OCC1=CC=CC=C1)=O)C(OCCOCN2C=NC3=C2NC(NC3=O)=N)=O)C |
别名信息
- 中文别名 -
- Z-伐昔洛韦
- Z-万乃洛韦
- 伐昔洛韦杂质E
- 万乃洛韦杂质E
- CBZ-伐昔洛韦N-苄氧羰基-L-缬氨酸
- Cbz-伐昔洛韦
- 米力农杂质2
- 万乃洛韦相关物质E USP标准品
- 盐酸伐昔洛韦杂质E
- N-苄氧羰基-L-缬氨酸 2-[(2-氨基-1,6-二氢-6-氧代-9H-嘌呤-9-基)甲氧基]乙基酯
- 英文别名 -
- Z-valacyclovir
- Valacyclovir Related Compound E
- N-[(Phenylmethoxy)carbonyl]-L-valine 2-[(2-Amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl Ester
- 2-[(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl N-(benzyloxycarbonyl)-L-valinate
- CBZ-valaciclovir
- CBZ VALACYCLOVIR
- L-Valine, N-[(phenylmethoxy)carbonyl]-, 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl ester
- Valaciclovir impurity E
- Valaciclovir Related Compound E (USP)
- Valaciclovir impurity E (PhEur)
- AKOS015896078
- VALACICLOVIR HYDROCHLORIDE IMPURITY E [EP IMPURITY]
- N-[(benzyloxy)carbonyl]-L-valine-2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl ester
- DTXSID10924945
- HY-126375
- CS-0103190
- Acyclovir N-(phenylmethoxy)carbonyl-L-valinate
- Benzyloxycarbonyl valacyclovir
- N-[(Phenylmethoxy)carbonyl]-L-valine 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl ester
- (S)-2-((2-Amino-6-oxo-1H-purin-9(6H)-yl)methoxy)ethyl 2-(((benzyloxy)carbonyl)amino)-3-methylbutanoate
- 2-[(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl N-[(benzyloxy)carbonyl]-L-valinate
- 2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
- D5326179KU
- AC-23936
- ZQSUAJRZJTUOEA-HNNXBMFYSA-N
- (S)-2-((2-Amino-6-oxo-1H-purin-9(6H)-yl)methoxy)ethyl2-(((benzyloxy)carbonyl)amino)-3-methylbutanoate
- (S)-2-((2-Imino-6-oxo-2,3-dihydro-1H-purin-9(6H)-yl)methoxy)ethyl 2-(((benzyloxy)carbonyl)amino)-3-methylbutanoate
- Valaciclovir hydrochloride, anhydrous specified impurity E [EP]
- 2-((2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy)ethyl N-((benzyloxy)carbonyl)-L-valinate
- Cbz-?Valaciclovir
- Q27276106
- AKOS025401642
- A805304
- UNII-D5326179KU
- 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
- 124832-31-1
- NS00007575
- SCHEMBL4910722
物化性质
实验特性
LogP |
2.14220 |
PSA |
163.45000 |
折射率 |
1.644 |
密度 |
1.429 |
计算特性
精确分子量 |
458.19100 |
氢键供体数量 |
4 |
氢键受体数量 |
12 |
可旋转化学键数量 |
13 |
同位素质量 |
458.19138257g/mol |
重原子数量 |
33 |
复杂度 |
726 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
1 |
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) |
1.3 |
拓扑分子极性表面积 |
159Ų |
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