tert-butyl N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate

• 常用名: tert-butyl N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
• 英文名: tert-butyl N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
• CAS号: 142580-65-2
• 分子量: 501.70100
• 密度: 1.082g/cm3
• 沸点: 680.5ºC at 760mmHg
• 分子式: C₂₉H₄₇N₃O₄
• 熔点: N/A
• 闪点: 365.4ºC

名称

• 英文名: tert-butyl N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate

物理化学性质

• 密度: 1.082g/cm3
• 沸点: 680.5ºC at 760mmHg
• 分子式: C₂₉H₄₇N₃O₄
• 分子量: 501.70100
• 闪点: 365.4ºC
• 精确质量: 501.35700
• PSA: 97.88000
• LogP: 5.26130
• InChIKey: LYMBPRXTWAXSBF-VMAPGKTHSA-N
• SMILES: CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C
• 蒸汽压: 1.88E-19mmHg at 25°C
• 折射率: 1.528

靶点实验

查看更多实验

实验名称：Inhibitory activity against HIV-1 protease. 来源：ChEMBL 靶标：Pol polyprotein External Id：CHEMBL877854

实验名称：Inhibition of HIV-1 protease 来源：ChEMBL 靶标：Pol polyprotein External Id：CHEMBL769053

实验名称：HIV Enzyme Data 来源：NIAID 靶标：N/A External Id：HIV Enzyme Data

实验名称：In vitro inhibition of HIV-Protease, using a peptide hydrolysis assay 来源：ChEMBL 靶标：Pol polyprotein External Id：CHEMBL769357

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