HCID19698361

4-Tert-butoxycarbonylaminomethyl-2-(1-methoxycarbonyl-1-acetoxymethyl) aniline

methyl 2-acetyloxy-2-[2-amino-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]acetate

C17H24N2O6352.4 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)C(OC(C)=O)c1cc(CNC(=O)OC(C)(C)C)ccc1N
InChIKey: MZZNMLDRWWDTOU-UHFFFAOYSA-N
分子式: C17H24N2O6
平均分子量: 352.4 g/mol
单同位素质量: 352.16343649

COMPUTED

结构计算性质

已同步

XLogP: 1.6
极性表面积: 117 Å²
氢键供体: 2
氢键受体: 7
可旋转键: 9
重原子: 25
形式电荷: 0
复杂度: 488

ALIASES

名称与别名

共 4 条

SCHEMBL8652404MZZNMLDRWWDTOU-UHFFFAOYSA-N4-tert-butoxycarbonylaminomethyl-2-(1-methoxycarbonyl-1-acetoxymethyl) aniline4-tert-butoxycarbonylaminomethyl-2-(1-methoxycarbonyl-1-acetoxymethyl)aniline

REACTIONS

参与反应

3 条

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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uspto-grants-1998_02 · 10.6084/m9.figshare.5104873.v1 · US05719152

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uspto-grants-1998_02 · 10.6084/m9.figshare.5104873.v1 · US05719152

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