苯基甲基N-[(2S)-1-[[(2S,5S)-3,3-二氟-5-[[(2S)-3-甲基-2-(苯基甲氧羰基氨基)丁酰基]氨基]-4-氧代-1,6-二(苯基)己烷-2-基]氨基]-3-甲基-1-氧代丁烷-2-基]氨基甲酸酯
[CAS# 133038-85-4]

基本信息

• 产品名称: 苯基甲基N-[(2S)-1-[[(2S,5S)-3,3-二氟-5-[[(2S)-3-甲基-2-(苯基甲氧羰基氨基)丁酰基]氨基]-4-氧代-1,6-二(苯基)己烷-2-基]氨基]-3-甲基-1-氧代丁烷-2-基]氨基甲酸酯
• 英文名: Phenylmethyl N-[(2S)-1-[[(2S,5S)-3,3-Difluoro-5-[[(2S)-3-Methyl-2-(Phenylmethoxycarbonylamino)Butanoyl]Amino]-4-Oxo-1,6-Di(Phenyl)Hexan-2-Yl]Amino]-3-Methyl-1-Oxobutan-2-Yl]Carbamate
• 别名: Phenylmethyl N-[(1S)-1-[[(1S,4S)-2,2-Difluoro-4-[[(2S)-3-Methyl-2-(Phenylmethoxycarbonylamino)Butanoyl]Amino]-3-Oxo-5-Phenyl-1-(Phenylmethyl)Pentyl]Carbamoyl]-2-Methyl-Propyl]Carbamate; N-[(1S)-1-[[[(1S,4S)-2,2-Difluoro-4-[[(2S)-3-Methyl-1-Oxo-2-[[Oxo-(Phenylmethoxy)Methyl]Amino]Butyl]Amino]-3-Oxo-5-Phenyl-1-(Phenylmethyl)Pentyl]Amino]-Oxomethyl]-2-Methylpropyl]Carbamic Acid Phenylmethyl Ester; N-[(1S)-1-[[(1S,4S)-1-(Benzyl)-4-[[(2S)-2-(Benzyloxycarbonylamino)-3-Methyl-Butanoyl]Amino]-2,2-Difluoro-3-Keto-5-Phenyl-Pentyl]Carbamoyl]-2-Methyl-Propyl]Carbamic Acid Benzyl Ester
• 分子式: C₄₄H₅₀F₂N₄O₇
• 分子量: 784.90
• CAS 登录号: 133038-85-4
• 分子行输入简码 SMILES: [C@H](C(C([C@@H](NC([C@@H](NC(=O)OCC1=CC=CC=C1)C(C)C)=O)CC2=CC=CC=C2)=O)(F)F)(NC([C@@H](NC(=O)OCC3=CC=CC=C3)C(C)C)=O)CC4=CC=CC=C4
• 国际化学标识码 InChI: 1S/C44H50F2N4O7/c1-29(2)37(49-42(54)56-27-33-21-13-7-14-22-33)40(52)47-35(25-31-17-9-5-10-18-31)39(51)44(45,46)36(26-32-19-11-6-12-20-32)48-41(53)38(30(3)4)50-43(55)57-28-34-23-15-8-16-24-34/h5-24,29-30,35-38H,25-28H2,1-4H3,(H,47,52)(H,48,53)(H,49,54)(H,50,55)/t35-,36-,37-,38-/m0/s1
• 国际化学标识检索码 InChIKey: YNCPFORRBHVPKK-ZQWQDMLBSA-N

物理化学性质

• 密度: 1.211g/cm³ （计算值）
• 沸点: 958.389°C at 760 mmHg （计算值）
• 闪点: 533.414°C （计算值）