HCID86600884

4-[(4-aminopyrimidine-5-yl)carbonyl]amino-N-(2,6-dichlorobenzoyl)-L-phenylalanine methylester

methyl (2S)-3-[4-[(4-aminopyrimidine-5-carbonyl)amino]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoate

C22H19Cl2N5O4488.3 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)[C@H](Cc1ccc(NC(=O)c2cncnc2N)cc1)NC(=O)c1c(Cl)cccc1Cl
InChIKey: YJMGRTPUOBBDSN-KRWDZBQOSA-N
分子式: C22H19Cl2N5O4
平均分子量: 488.3 g/mol
单同位素质量: 487.0814095

COMPUTED

结构计算性质

已同步

XLogP: 3.7
极性表面积: 136 Å²
氢键供体: 3
氢键受体: 7
可旋转键: 8
重原子: 33
形式电荷: 0
复杂度: 682

ALIASES

名称与别名

共 3 条

YJMGRTPUOBBDSN-KRWDZBQOSA-N4-[(4-aminopyrimidine-5-yl) carbonyl]amino-N-(2,6-dichlorobenzoyl)-L-phenylalanine methylester4-[(4-aminopyrimidine-5-yl)carbonyl]amino-N-(2,6-dichlorobenzoyl)-L-phenylalanine methylester

REACTIONS

参与反应

2 条

uspto-grants-2008_03 · 10.6084/m9.figshare.5104873.v1 · US07345049B2

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uspto-grants-2012_11 · 10.6084/m9.figshare.5104873.v1 · US08309561B2

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