HCID25178697

3-{[(tert-Butoxy)carbonyl](propan-2-yl)amino}-2-(4-chlorophenyl)propanoic acid

2-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propanoic acid

C17H24ClNO4341.8 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)N(CC(C(=O)O)c1ccc(Cl)cc1)C(=O)OC(C)(C)C
InChIKey: GQWRBNJRKSPGTF-UHFFFAOYSA-N
分子式: C17H24ClNO4
平均分子量: 341.8 g/mol
单同位素质量: 341.1393859

COMPUTED

结构计算性质

已同步

XLogP: 3.7
极性表面积: 66.8 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 7
重原子: 23
形式电荷: 0
复杂度: 411

ALIASES

名称与别名

共 23 条

1000985-05-63-{[(tert-Butoxy)carbonyl](propan-2-yl)amino}-2-(4-chlorophenyl)propanoic acid3-[tert-butoxycarbonyl(isopropyl)amino]-2-(4-chlorophenyl)propanoic acidMFCD279956533-(tert-butoxycarbonyl(isopropyl)amino)-2-(4-chlorophenyl)propanoic acid3-[tert-butoxycarbonyl(isopropyl)amino]-2-(4-chlorophenyl)propanoicacid2-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propanoic acidSCHEMBL191131(2R)-3-{[(tert-butoxy)carbonyl](propan-2-yl)amino}-2-(4-chlorophenyl)propanoic acid(2S)-3-{[(tert-butoxy)carbonyl](propan-2-yl)amino}-2-(4-chlorophenyl)propanoic acidGQWRBNJRKSPGTF-UHFFFAOYSA-NAKOS026676675AS-78990SY322993DB-122466CS-0309954P19837F806170F8889-68423-[Boc(isopropyl)amino]-2-(4-chlorophenyl)propanoic Acid

REACTIONS

参与反应

30 条

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846681B2

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08895566B2

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uspto-grants-2016_05 · 10.6084/m9.figshare.5104873.v1 · US09328091B2

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