5-[[[4-[2-羟基-3-(丙-2-基氨基)丙氧基]1H-吲哚-2-羰基]氨基]甲基]-2-丙基-3-[[4-[2-(2H-四唑-5-基)苯基]苯基]甲基]咪唑-4-羧酸
[CAS# 153049-46-8]

基本信息

• 产品名称: 5-[[[4-[2-羟基-3-(丙-2-基氨基)丙氧基]1H-吲哚-2-羰基]氨基]甲基]-2-丙基-3-[[4-[2-(2H-四唑-5-基)苯基]苯基]甲基]咪唑-4-羧酸
• 英文名: 5-[[[4-[2-Hydroxy-3-(Propan-2-Ylamino)Propoxy]1H-Indole-2-Carbonyl]Amino]Methyl]-2-Propyl-3-[[4-[2-(2H-Tetrazol-5-Yl)Phenyl]Phenyl]Methyl]Imidazole-4-Carboxylic Acid
• 别名: 5-[[[4-[2-Hydroxy-3-(Isopropylamino)Propoxy]1H-Indole-2-Carbonyl]Amino]Methyl]-2-Propyl-3-[[4-[2-(2H-Tetrazol-5-Yl)Phenyl]Phenyl]Methyl]Imidazole-4-Carboxylic Acid; 5-[[[[4-[2-Hydroxy-3-(Isopropylamino)Propoxy]-1H-Indol-2-Yl]-Oxomethyl]Amino]Methyl]-2-Propyl-3-[[4-[2-(2H-Tetrazol-5-Yl)Phenyl]Phenyl]Methyl]-4-Imidazolecarboxylic Acid; 5-[[[4-[2-Hydroxy-3-(Isopropylamino)Propoxy]1H-Indole-2-Carbonyl]Amino]Methyl]-2-Propyl-3-[4-[2-(2H-Tetrazol-5-Yl)Phenyl]Benzyl]Imidazole-4-Carboxylic Acid
• 分子式: C₃₇H₄₁N₉O₅
• 分子量: 691.79
• CAS 登录号: 153049-46-8
• 分子行输入简码 SMILES: C1=C([NH]C2=CC=CC(=C12)OCC(O)CNC(C)C)C(=O)NCC3=C([N](C(=N3)CCC)CC6=CC=C(C5=C(C4=N[NH]N=N4)C=CC=C5)C=C6)C(=O)O
• 国际化学标识码 InChI: 1S/C37H41N9O5/c1-4-8-33-41-31(19-39-36(48)30-17-28-29(40-30)11-7-12-32(28)51-21-25(47)18-38-22(2)3)34(37(49)50)46(33)20-23-13-15-24(16-14-23)26-9-5-6-10-27(26)35-42-44-45-43-35/h5-7,9-17,22,25,38,40,47H,4,8,18-21H2,1-3H3,(H,39,48)(H,49,50)(H,42,43,44,45)
• 国际化学标识检索码 InChIKey: LDILUHSYQQLZRC-UHFFFAOYSA-N

物理化学性质

• 密度: 1.392g/cm³ （计算值）