HCID86689699

tert-butyl (S)-2-(4-(tert-butyl)benzamido)-3-(4-(5-(4-(heptyloxy)phenyl)-4-methoxypyrimidin-2-yl)phenyl)propanoate

tert-butyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-[4-[5-(4-heptoxyphenyl)-4-methoxypyrimidin-2-yl]phenyl]propanoate

C42H53N3O5679.9 g/mol

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IDENTITY

结构与身份

标准SMILES: CCCCCCCOc1ccc(-c2cnc(-c3ccc(C[C@H](NC(=O)c4ccc(C(C)(C)C)cc4)C(=O)OC(C)(C)C)cc3)nc2OC)cc1
InChIKey: YFPCPVCVZLXJSV-BHVANESWSA-N
分子式: C42H53N3O5
平均分子量: 679.9 g/mol
单同位素质量: 679.3985218

COMPUTED

结构计算性质

已同步

XLogP: 10.5
极性表面积: 99.6 Å²
氢键供体: 1
氢键受体: 7
可旋转键: 18
重原子: 50
形式电荷: 0
复杂度: 1,000

ALIASES

名称与别名

共 3 条

SCHEMBL15037153YFPCPVCVZLXJSV-BHVANESWSA-Ntert-butyl (S)-2-(4-(tert-butyl)benzamido)-3-(4-(5-(4-(heptyloxy)phenyl)-4-methoxypyrimidin-2-yl)phenyl)propanoate

REACTIONS

参与反应

3 条

uspto-grants-2015_11 · 10.6084/m9.figshare.5104873.v1 · US09187522B2

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uspto-grants-2014_07 · 10.6084/m9.figshare.5104873.v1 · US08778923B2

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uspto-grants-2016_02 · 10.6084/m9.figshare.5104873.v1 · US09260427B2

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