Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看![3-[(4-Methoxyphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid 分子结构式](/api/mol/333432/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- COc1ccc(CSCC(NC(=O)OC(C)(C)C)C(=O)O)cc1
- InChIKey
- VRTXRNJMNFVTOM-UHFFFAOYSA-N
- 分子式
- C16H23NO5S
- 平均分子量
- 341.4 g/mol
- 单同位素质量
- 341.12969401
COMPUTED
结构计算性质
- XLogP
- 2.7
- 极性表面积
- 110 Ų
- 氢键供体
- 2
- 氢键受体
- 6
- 可旋转键
- 9
- 重原子
- 23
- 形式电荷
- 0
- 复杂度
- 388
物化、安全与法规信息正在同步。
ALIASES
名称与别名
Boc-Cys(Mob)-OH(2S)-3-[(4-methoxyphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acidNSC334312SCHEMBL1278179(R)-2-(tert-butoxycarbonylamino)-3-(4-methoxybenzylthio)propanoic acidBoc-S-4-methoxybenzyl-L-cysteineVRTXRNJMNFVTOM-UHFFFAOYSA-NBLC-2078AKOS025243580NSC-3343123-[(4-methoxyphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acidN-|A-t.-Boc-S-p-methoxybenzyl-L-cysteineN-(tert-Butoxycarbonyl)(4-methoxybenzyl)cysteine #N-(tert-Butoxycarbonyl)-3-(4-methoxybenzylthio)alanineL-Cysteine,1-dimethylethoxy)carbonyl]-S-[(4-methoxyphenyl)methyl]-2-(tert-butoxycarbonylamino)-3-[(4-methoxyphenyl)methylsulfanyl]propanoic acid
REACTIONS
相关反应