(2S)-N-[(2S,3R,4R)-5-[[(2S)-1-(1H-苯并咪唑-2-基甲基氨基)-3-甲基-1-氧代丁烷-2-基]氨基]-3-羟基-4-[(4-甲氧基苯基)甲基氨基]-5-氧代-1-苯基戊烷-2-基]-2-[[(2S)-2-羟基-2-苯基丙酰基]氨基]-3,3-二甲基丁酰胺
[CAS# 161389-25-9]

基本信息

• 产品名称: (2S)-N-[(2S,3R,4R)-5-[[(2S)-1-(1H-苯并咪唑-2-基甲基氨基)-3-甲基-1-氧代丁烷-2-基]氨基]-3-羟基-4-[(4-甲氧基苯基)甲基氨基]-5-氧代-1-苯基戊烷-2-基]-2-[[(2S)-2-羟基-2-苯基丙酰基]氨基]-3,3-二甲基丁酰胺
• 英文名: (2S)-N-[(2S,3R,4R)-5-[[(2S)-1-(1H-Benzimidazol-2-Ylmethylamino)-3-Methyl-1-Oxobutan-2-Yl]Amino]-3-Hydroxy-4-[(4-Methoxyphenyl)Methylamino]-5-Oxo-1-Phenylpentan-2-Yl]-2-[[(2S)-2-Hydroxy-2-Phenylpropanoyl]Amino]-3,3-Dimethylbutanamide
• 别名: (2S)-N-[(1S,2R,3R)-4-[[(1S)-1-(1H-Benzimidazol-2-Ylmethylcarbamoyl)-2-Methyl-Propyl]Amino]-2-Hydroxy-3-[(4-Methoxyphenyl)Methylamino]-4-Oxo-1-(Phenylmethyl)Butyl]-2-[[(2S)-2-Hydroxy-2-Phenyl-Propanoyl]Amino]-3,3-Dimethyl-Butanamide; (2S)-N-[(1S,2R,3R)-4-[[(1S)-1-[(1H-Benzimidazol-2-Ylmethylamino)-Oxomethyl]-2-Methylpropyl]Amino]-2-Hydroxy-3-[(4-Methoxyphenyl)Methylamino]-4-Oxo-1-(Phenylmethyl)Butyl]-2-[[(2S)-2-Hydroxy-1-Oxo-2-Phenylpropyl]Amino]-3,3-Dimethylbutanamide; (2S)-N-[(1S,2R,3R)-4-[[(1S)-1-(1H-Benzimidazol-2-Ylmethylcarbamoyl)-2-Methyl-Propyl]Amino]-1-(Benzyl)-2-Hydroxy-4-Keto-3-[(4-Methoxybenzyl)Amino]Butyl]-2-[[(2S)-2-Hydroxy-2-Phenyl-Propanoyl]Amino]-3,3-Dimethyl-Butyramide
• 分子式: C₄₇H₅₉N₇O₇
• 分子量: 834.03
• CAS 登录号: 161389-25-9
• 分子行输入简码 SMILES: [C@H](C(N[C@H](C(NCC2=NC1=CC=CC=C1[NH]2)=O)C(C)C)=O)([C@@H]([C@@H](NC([C@@H](NC([C@](C3=CC=CC=C3)(O)C)=O)C(C)(C)C)=O)CC4=CC=CC=C4)O)NCC5=CC=C(C=C5)OC
• 国际化学标识码 InChI: 1S/C47H59N7O7/c1-29(2)38(42(56)49-28-37-50-34-20-14-15-21-35(34)51-37)53-43(57)39(48-27-31-22-24-33(61-7)25-23-31)40(55)36(26-30-16-10-8-11-17-30)52-44(58)41(46(3,4)5)54-45(59)47(6,60)32-18-12-9-13-19-32/h8-25,29,36,38-41,48,55,60H,26-28H2,1-7H3,(H,49,56)(H,50,51)(H,52,58)(H,53,57)(H,54,59)/t36-,38-,39+,40+,41+,47-/m0/s1
• 国际化学标识检索码 InChIKey: GSXZOVDJUCOJAW-JZPLEXDRSA-N

物理化学性质

• 密度: 1.229g/cm³ （计算值）
• 沸点: 1151.557°C at 760 mmHg （计算值）
• 闪点: 650.238°C （计算值）