N-[(1s)-1-[[[(5s)-5-[[(4-氨基苯基)磺酰基](2-甲基丙基)氨基]-6-羟基己基]氨基]羰基]-2,2-二苯基乙基]氨基甲酸甲酯

• 常用名: N-[(1s)-1-[[[(5s)-5-[[(4-氨基苯基)磺酰基](2-甲基丙基)氨基]-6-羟基己基]氨基]羰基]-2,2-二苯基乙基]氨基甲酸甲酯
• 英文名: PL-100 PL100
• CAS号: 612547-11-2
• 分子量: 624.79100
• 密度: N/A
• 沸点: N/A
• 分子式: C₃₃H₄₄N₄O₆S
• 熔点: N/A
• 闪点: N/A

名称

• 中文名: N-[(1s)-1-[[[(5s)-5-[[(4-氨基苯基)磺酰基](2-甲基丙基)氨基]-6-羟基己基]氨基]羰基]-2,2-二苯基乙基]氨基甲酸甲酯
• 英文名: N-[(5S)-5-{[(4-Aminophenyl)sulfonyl](isobutyl)amino}-6-hydroxyhex yl]-Nα-(methoxycarbonyl)-β-phenyl-L-phenylalaninamide

物理化学性质

• 分子式: C₃₃H₄₄N₄O₆S
• 分子量: 624.79100
• 精确质量: 624.29800
• PSA: 166.42000
• LogP: 6.82630
• InChIKey: QAHLFXYLXBBCPS-JFINJBMXSA-N
• SMILES: COC(=O)NC(C(=O)NCCCCC(CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1

靶点实验

查看更多实验

实验名称：Inhibition of HIV1 protease 来源：ChEMBL 靶标：Protease External Id：CHEMBL925700

实验名称：Inhibition of HIV aspartyl protease 来源：ChEMBL 靶标：Pol polyprotein External Id：CHEMBL865537

实验名称：Inhibition of HIV1 3B protease-mediated gag polyprotein processing in H9 cells assess... 来源：ChEMBL 靶标：Protease External Id：CHEMBL996244

实验名称：Resistance index, ratio of EC50 for SQV-resistant HIV1 SaqR carrying G48V/L90MV mutat... 来源：ChEMBL 靶标：Human immunodeficiency virus 1 External Id：CHEMBL996246

实验名称：Resistance index, ratio of EC50 for SQV-resistant HIV1 4596 carrying L10R/M46I/L63P/V... 来源：ChEMBL 靶标：Human immunodeficiency virus 1 External Id：CHEMBL996245

实验名称：Antiviral activity against HIV1 NL4-3 in MT4 cells 来源：ChEMBL 靶标：Human immunodeficiency virus 1 External Id：CHEMBL865538

实验名称：Antiviral activity against HIV1 multi PI resistant strain 4596 来源：ChEMBL 靶标：Human immunodeficiency virus 1 External Id：CHEMBL865539

实验名称：Antiviral activity against HIV1 Saquinavir resistant strain SaqR 来源：ChEMBL 靶标：Human immunodeficiency virus 1 External Id：CHEMBL865540

实验名称：Selectivity index, ratio of CC50 for human MT4 cells to EC50 for HIV1 NL4-3 来源：ChEMBL 靶标：N/A External Id：CHEMBL996241

实验名称：Resistance index, ratio of EC50 for HIV1 with protease 33F/46L/54V/82A/84V/90M mutati... 来源：ChEMBL 靶标：Human immunodeficiency virus 1 External Id：CHEMBL996252

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英文别名

• 4-HYDROXY-6R-METHYL-1R,3,7S-TRIS(3-METHYL-2-BUTENYL)-5S-(2-METHYL-1-OXOPROPYL)-6R-(4-METHYL-3-PENTENYL)-BICYCLO[3.3.1]NON-3-ENE-2,9-DIONE
• (1S,5S)-(1-{5-[(4-amino-benzenesulfonyl)-isobutyl-amino]-6-hydroxy-hexylcarbamoyl}-2,2-diphenyl-ethyl)-carbamic acid methyl ester
• methyl-1,3,7-tris(3-methyl-2-buten-1-yl)-5-(2-methyl-1-oxopropyl)-6-(4-methyl-3-penten-1-yl)-,(1R,5S,6R,7S)
• Bicyclo[3.3.1]non-3-ene-2,9-dione,4-hydroxy-6
• (1S,5R,7S,8R)-4-hydroxy-8-methyl-3,5,7-tris(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-1-(2-methylpropanoyl)bicyclo[3.3.1]non-3-en-2,9-dione
• HYPERFORIN MIX(P)