(2R,4R)-4-叔丁基-2-(2-氟苯基)-3-[2-[[3-[(2S)-1-羟基-1-氧代丙烷-2-基]苯基]氨基甲酰氨基]乙酰基]-1,3-噻唑烷-4-羧酸
[CAS# 153242-02-5]

基本信息

• 产品名称: (2R,4R)-4-叔丁基-2-(2-氟苯基)-3-[2-[[3-[(2S)-1-羟基-1-氧代丙烷-2-基]苯基]氨基甲酰氨基]乙酰基]-1,3-噻唑烷-4-羧酸
• 英文名: (2R,4R)-4-Tert-Butyl-2-(2-Fluorophenyl)-3-[2-[[3-[(2S)-1-Hydroxy-1-Oxopropan-2-Yl]Phenyl]Carbamoylamino]Acetyl]-1,3-Thiazolidine-4-Carboxylic Acid
• 别名: (2R,4R)-4-Tert-Butyl-2-(2-Fluorophenyl)-3-[2-[[3-[(1S)-2-Hydroxy-1-Methyl-2-Oxo-Ethyl]Phenyl]Carbamoylamino]Acetyl]Thiazolidine-4-Carboxylic Acid; (2R,4R)-4-Tert-Butyl-2-(2-Fluorophenyl)-3-[2-[[[[3-[(1S)-2-Hydroxy-1-Methyl-2-Oxoethyl]Phenyl]Amino]-Oxomethyl]Amino]-1-Oxoethyl]-4-Thiazolidinecarboxylic Acid; (2R,4R)-4-Tert-Butyl-2-(2-Fluorophenyl)-3-[2-[[3-[(1S)-2-Hydroxy-2-Keto-1-Methyl-Ethyl]Phenyl]Carbamoylamino]Acetyl]Thiazolidine-4-Carboxylic Acid
• 分子式: C₂₆H₃₀FN₃O₆S
• 分子量: 531.60
• CAS 登录号: 153242-02-5
• 分子行输入简码 SMILES: [C@@H]1(SC[C@](N1C(CNC(NC2=CC(=CC=C2)[C@H](C)C(=O)O)=O)=O)(C(=O)O)C(C)(C)C)C3=CC=CC=C3F
• 国际化学标识码 InChI: 1S/C26H30FN3O6S/c1-15(22(32)33)16-8-7-9-17(12-16)29-24(36)28-13-20(31)30-21(18-10-5-6-11-19(18)27)37-14-26(30,23(34)35)25(2,3)4/h5-12,15,21H,13-14H2,1-4H3,(H,32,33)(H,34,35)(H2,28,29,36)/t15-,21+,26-/m0/s1
• 国际化学标识检索码 InChIKey: XPGRNAVLFGBZDM-YIHKWUSESA-N

物理化学性质

• 密度: 1.374g/cm³ （计算值）
• 沸点: 718.068°C at 760 mmHg （计算值）
• 闪点: 388.074°C （计算值）