(E)-N-丁基-2-[[(1R,2S)-3-环己基-1-羟基-2-[[(2S)-1-[[(2S)-2-[3-(3-羟基-4-碘苯基)丙酰氨基]-3-苯基丙酰基]氨基]-3-(3H-咪唑-4-基)-1-氧代丙烷-2-基]氨基]丙基]氨基]己-4-烯酰胺
[CAS# 130507-23-2]

基本信息

• 产品名称: (E)-N-丁基-2-[[(1R,2S)-3-环己基-1-羟基-2-[[(2S)-1-[[(2S)-2-[3-(3-羟基-4-碘苯基)丙酰氨基]-3-苯基丙酰基]氨基]-3-(3H-咪唑-4-基)-1-氧代丙烷-2-基]氨基]丙基]氨基]己-4-烯酰胺
• 英文名: (E)-N-Butyl-2-[[(1R,2S)-3-Cyclohexyl-1-Hydroxy-2-[[(2S)-1-[[(2S)-2-[3-(3-Hydroxy-4-Iodophenyl)Propanoylamino]-3-Phenylpropanoyl]Amino]-3-(3H-Imidazol-4-Yl)-1-Oxopropan-2-Yl]Amino]Propyl]Amino]Hex-4-Enamide
• 别名: (E)-N-Butyl-2-[[(1R,2S)-3-Cyclohexyl-1-Hydroxy-2-[[(1S)-2-[[(2S)-2-[3-(3-Hydroxy-4-Iodo-Phenyl)Propanoylamino]-3-Phenyl-Propanoyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxo-Ethyl]Amino]Propyl]Amino]Hex-4-Enamide; (E)-N-Butyl-2-[[(1R,2S)-3-Cyclohexyl-1-Hydroxy-2-[[(1S)-2-[[(2S)-2-[[3-(3-Hydroxy-4-Iodophenyl)-1-Oxopropyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxoethyl]Amino]Propyl]Amino]Hex-4-Enamide; (E)-N-Butyl-2-[[(1R,2S)-3-Cyclohexyl-1-Hydroxy-2-[[(1S)-2-[[(2S)-2-[3-(3-Hydroxy-4-Iodo-Phenyl)Propanoylamino]-3-Phenyl-Propanoyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Keto-Ethyl]Amino]Propyl]Amino]Hex-4-Enamide
• 分子式: C₄₃H₆₀IN₇O₆
• 分子量: 897.89
• CAS 登录号: 130507-23-2
• 分子行输入简码 SMILES: [C@H](N[C@@H](CC1=CN=C[NH]1)C(=O)NC(=O)[C@@H](NC(=O)CCC2=CC(=C(I)C=C2)O)CC3=CC=CC=C3)(CC4CCCCC4)[C@@H](O)NC(C\C=C\C)C(=O)NCCCC
• 国际化学标识码 InChI: 1S/C43H60IN7O6/c1-3-5-17-34(40(54)46-22-6-4-2)50-41(55)35(23-29-13-9-7-10-14-29)48-37(26-32-27-45-28-47-32)43(57)51-42(56)36(24-30-15-11-8-12-16-30)49-39(53)21-19-31-18-20-33(44)38(52)25-31/h3,5,8,11-12,15-16,18,20,25,27-29,34-37,41,48,50,52,55H,4,6-7,9-10,13-14,17,19,21-24,26H2,1-2H3,(H,45,47)(H,46,54)(H,49,53)(H,51,56,57)/b5-3+/t34?,35-,36-,37-,41+/m0/s1
• 国际化学标识检索码 InChIKey: LIPAPUJYAPLADJ-AYLOIORXSA-N

物理化学性质

• 密度: 1.332g/cm³ （计算值）
• 沸点: 1065.232°C at 760 mmHg （计算值）
• 闪点: 598.031°C （计算值）