HCID86659066

(R)-3-[2-[[2-[4-(Benzyloxy)-3-[[(tert-butyldimethylsilyl)oxy]methyl]phenyl]-2-[(tert-butyldimethylsilyl)oxy]ethyl]amino]-2-methylpropyl]-N-[[1,6-diethyl-4-[(tetrahydro-2H-pyran-4-yl)amino]-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl]benzamide

3-[2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylmethoxyphenyl]ethyl]amino]-2-methylpropyl]-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]benzamide

C55H82N6O5Si2963.4 g/mol

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IDENTITY

结构与身份

标准SMILES: CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(CC(C)(C)NC[C@H](O[Si](C)(C)C(C)(C)C)c2ccc(OCc3ccccc3)c(CO[Si](C)(C)C(C)(C)C)c2)c1
InChIKey: BNJHDVHQCQZQOL-GGCSAXROSA-N
分子式: C55H82N6O5Si2
平均分子量: 963.4 g/mol
单同位素质量: 962.58852281

COMPUTED

结构计算性质

已同步

极性表面积: 121 Å²
氢键供体: 3
氢键受体: 9
可旋转键: 23
重原子: 68
形式电荷: 0
复杂度: 1,530

ALIASES

名称与别名

共 3 条

SCHEMBL1315562BNJHDVHQCQZQOL-GGCSAXROSA-N(R)-3-[2-[[2-[4-(Benzyloxy)-3-[[(tert-butyldimethylsilyl)oxy]methyl]phenyl]-2-[(tert-butyldimethylsilyl)oxy]ethyl]amino]-2-methylpropyl]-N-[[1,6-diethyl-4-[(tetrahydro-2H-pyran-4-yl)amino]-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl]benzamide

REACTIONS

参与反应

1 条

uspto-grants-2013_02 · 10.6084/m9.figshare.5104873.v1 · US08367829B2

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