3-{[(2R)-2-羟基丙基]氨基}-3-甲基-N-[(3R)-2-氧代-1-{[2'-(2H-四唑-5-基)-4-联苯基]甲基}-2,3,4,5-四氢-1H-1-苯并氮杂卓-3-基]丁酰胺
[CAS# 145455-35-2]

基本信息

• 产品名称: 3-{[(2R)-2-羟基丙基]氨基}-3-甲基-N-[(3R)-2-氧代-1-{[2'-(2H-四唑-5-基)-4-联苯基]甲基}-2,3,4,5-四氢-1H-1-苯并氮杂卓-3-基]丁酰胺
• 英文名: 3-{[(2R)-2-Hydroxypropyl]Amino}-3-Methyl-N-[(3R)-2-Oxo-1-{[2'-(2H-Tetrazol-5-Yl)-4-Biphenylyl]Methyl}-2,3,4,5-Tetrahydro-1H-1-Benzazepin-3-Yl]Butanamide
• 别名: [145455-35-2]; 3-((R)-2-Hydroxy-propylamino)-3-methyl-N-{(R)-2-oxo-1-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl}-butyramide; 3-(2-Hydroxy-propylamino)-3-methyl-N-{(R)-2-oxo-1-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl}-butyramide
• 分子式: C₃₂H₃₇N₇O₃
• 分子量: 567.68
• CAS 登录号: 145455-35-2
• 分子行输入简码 SMILES: C[C@H](CNC(C)(C)CC(=O)N[C@@H]1CCC2=CC=CC=C2N(C1=O)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)O
• 国际化学标识码 InChI: 1S/C32H37N7O3/c1-21(40)19-33-32(2,3)18-29(41)34-27-17-16-24-8-4-7-11-28(24)39(31(27)42)20-22-12-14-23(15-13-22)25-9-5-6-10-26(25)30-35-37-38-36-30/h4-15,21,27,33,40H,16-20H2,1-3H3,(H,34,41)(H,35,36,37,38)/t21-,27-/m1/s1
• 国际化学标识检索码 InChIKey: AYBCFPXLXOLPIZ-JIPXPUAJSA-N

物理化学性质

• 密度: 1.3±0.1g/cm³ （计算值）
• 折射率: 1.66 （计算值）
• 溶解度: Soluble to 100 mM in DMSO and to 25 mM in ethanol