(2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diisopropyl-phenylcarbamoyl)-methyl]-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid

• 常用名: (2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diisopropyl-phenylcarbamoyl)-methyl]-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
• 英文名: (2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diisopropyl-phenylcarbamoyl)-methyl]-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
• CAS号: 195529-55-6
• 分子量: 558.7
• 密度: N/A
• 沸点: N/A
• 分子式: C₃₃H₃₈N₂O₆
• 熔点: N/A
• 闪点: N/A

名称

• 英文名: (2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diisopropyl-phenylcarbamoyl)-methyl]-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid

物理化学性质

• 分子式: C₃₃H₃₈N₂O₆
• 分子量: 558.7
• InChIKey: IJWIKFGUGIKEKW-FUKIBTTHSA-N
• SMILES: COc1ccc(C2C(C(=O)O)C(c3ccc4c(c3)OCO4)CN2CC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1

靶点实验

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实验名称：Binding affinity towards human Endothelin B receptor (hET -B) 来源：ChEMBL 靶标：Endothelin receptor type B External Id：CHEMBL670478

实验名称：Binding affinity towards human Endothelin A receptor (hET -A) 来源：ChEMBL 靶标：Endothelin-1 receptor External Id：CHEMBL677305

实验名称：Ratio of binding affinity towards hETA to hETB 来源：ChEMBL 靶标：Endothelin receptor type B External Id：CHEMBL679832

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