[(3S)-1,1-二氧代四氢噻吩-3-基] N-[(2R,3R)-4-[(3aR,6S,7aS)-6-(叔丁基氨基甲酰)-3,3a,4,6,7,7a-六氢-2H-噻吩并[2,3-d]吡啶-5-基]-3-羟基-1-苯基硫基丁烷-2-基]氨基甲酸酯
[CAS# 169273-51-2]

基本信息

• 产品名称: [(3S)-1,1-二氧代四氢噻吩-3-基] N-[(2R,3R)-4-[(3aR,6S,7aS)-6-(叔丁基氨基甲酰)-3,3a,4,6,7,7a-六氢-2H-噻吩并[2,3-d]吡啶-5-基]-3-羟基-1-苯基硫基丁烷-2-基]氨基甲酸酯
• 英文名: [(3S)-1,1-Dioxothiolan-3-Yl] N-[(2R,3R)-4-[(3aR,6S,7aS)-6-(Tert-Butylcarbamoyl)-3,3a,4,6,7,7a-Hexahydro-2H-Thieno[2,3-d]Pyridin-5-Yl]-3-Hydroxy-1-Phenylsulfanylbutan-2-Yl]Carbamate
• 别名: [(3S)-1,1-Dioxothiolan-3-Yl] N-[(1R,2R)-3-[(3Ar,6S,7As)-6-(Tert-Butylcarbamoyl)-3,3A,4,6,7,7A-Hexahydro-2H-Thieno[2,3-D]Pyridin-5-Yl]-2-Hydroxy-1-(Phenylsulfanylmethyl)Propyl]Carbamate; N-[(1R,2R)-3-[(3Ar,6S,7As)-6-[(Tert-Butylamino)-Oxomethyl]-3,3A,4,6,7,7A-Hexahydro-2H-Thieno[2,3-D]Pyridin-5-Yl]-2-Hydroxy-1-[(Phenylthio)Methyl]Propyl]Carbamic Acid [(3S)-1,1-Dioxo-3-Thiolanyl] Ester; N-[(1R,2R)-3-[(3Ar,6S,7As)-6-(Tert-Butylcarbamoyl)-3,3A,4,6,7,7A-Hexahydro-2H-Thieno[2,3-D]Pyridin-5-Yl]-2-Hydroxy-1-[(Phenylthio)Methyl]Propyl]Carbamic Acid [(3S)-1,1-Diketothiolan-3-Yl] Ester
• 分子式: C₂₇H₄₁N₃O₆S₃
• 分子量: 599.82
• CAS 登录号: 169273-51-2
• 分子行输入简码 SMILES: [C@@H]12SCC[C@@H]1CN([C@@H](C2)C(=O)NC(C)(C)C)C[C@@H](O)[C@@H](NC(O[C@@H]3C[S](=O)(=O)CC3)=O)CSC4=CC=CC=C4
• 国际化学标识码 InChI: 1S/C27H41N3O6S3/c1-27(2,3)29-25(32)22-13-24-18(9-11-37-24)14-30(22)15-23(31)21(16-38-20-7-5-4-6-8-20)28-26(33)36-19-10-12-39(34,35)17-19/h4-8,18-19,21-24,31H,9-17H2,1-3H3,(H,28,33)(H,29,32)/t18-,19+,21+,22+,23-,24+/m1/s1
• 国际化学标识检索码 InChIKey: DMVZKUWZKVVEEN-YNFNHKPXSA-N

物理化学性质

• 密度: 1.348g/cm³ （计算值）
• 沸点: 866.512°C at 760 mmHg （计算值）
• 闪点: 477.849°C （计算值）