2-[[1-[[1-[[(Z)-[5-(2,4-二氧代-1,3-二嗪农-1-基)-4-羟基四氢呋喃-2-亚基]甲基]氨基]-3-[(6-羟基-1-甲基1,2,3,4-四氢异喹啉-3-羰基)-甲基氨基]-1-氧代丁烷-2-基]氨基]-4-甲硫基-1-氧代丁烷-2-基]氨基甲酰氨基]-3-(3-羟基苯基)丙酸
[CAS# 144379-27-1]

基本信息

• 产品名称: 2-[[1-[[1-[[(Z)-[5-(2,4-二氧代-1,3-二嗪农-1-基)-4-羟基四氢呋喃-2-亚基]甲基]氨基]-3-[(6-羟基-1-甲基1,2,3,4-四氢异喹啉-3-羰基)-甲基氨基]-1-氧代丁烷-2-基]氨基]-4-甲硫基-1-氧代丁烷-2-基]氨基甲酰氨基]-3-(3-羟基苯基)丙酸
• 英文名: 2-[[1-[[1-[[(Z)-[5-(2,4-Dioxo-1,3-Diazinan-1-Yl)-4-Hydroxyoxolan-2-Ylidene]Methyl]Amino]-3-[(6-Hydroxy-1-Methyl1,2,3,4-Tetrahydroisoquinoline-3-Carbonyl)-Methylamino]-1-Oxobutan-2-Yl]Amino]-4-Methylsulfanyl-1-Oxobutan-2-Yl]Carbamoylamino]-3-(3-Hydroxyphenyl)Propanoic Acid
• 别名: 2-[[1-[[1-[[(Z)-[5-(2,4-Dioxohexahydropyrimidin-1-Yl)-4-Hydroxy-Tetrahydrofuran-2-Ylidene]Methyl]Carbamoyl]-2-[(6-Hydroxy-1-Methyl-1,2,3,4-Tetrahydroisoquinoline-3-Carbonyl)-Methyl-Amino]Propyl]Carbamoyl]-3-Methylsulfanyl-Propyl]Carbamoylamino]-3-(3-Hydroxyphenyl)Propanoic Acid; 2-[[[[1-[[[1-[[[(Z)-[5-(2,4-Dioxo-1-Hexahydropyrimidinyl)-4-Hydroxy-2-Tetrahydrofuranylidene]Methyl]Amino]-Oxomethyl]-2-[[(6-Hydroxy-1-Methyl-1,2,3,4-Tetrahydroisoquinolin-3-Yl)-Oxomethyl]-Methylamino]Propyl]Amino]-Oxomethyl]-3-(Methylthio)Propyl]Amino]-Oxomethyl]Amino]-3-(3-Hydroxyphenyl)Propanoic Acid; 2-[[1-[[1-[[(Z)-[5-(2,4-Diketohexahydropyrimidin-1-Yl)-4-Hydroxy-Tetrahydrofuran-2-Ylidene]Methyl]Carbamoyl]-2-[(6-Hydroxy-1-Methyl-1,2,3,4-Tetrahydroisoquinoline-3-Carbonyl)-Methyl-Amino]Propyl]Carbamoyl]-3-(Methylthio)Propyl]Carbamoylamino]-3-(3-Hydroxyphenyl)Propionic Acid
• 分子式: C₄₀H₅₂N₈O₁₂S
• 分子量: 868.96
• CAS 登录号: 144379-27-1
• 分子行输入简码 SMILES: C5=C4C(NC(C(N(C(C(C(N\C=C\2OC(N1C(NC(CC1)=O)=O)C(C2)O)=O)NC(C(NC(NC(C(=O)O)CC3=CC=CC(=C3)O)=O)CCSC)=O)C)C)=O)CC4=CC(=C5)O)C
• 国际化学标识码 InChI: 1S/C40H52N8O12S/c1-20-27-9-8-25(50)16-23(27)17-29(42-20)36(55)47(3)21(2)33(35(54)41-19-26-18-31(51)37(60-26)48-12-10-32(52)45-40(48)59)46-34(53)28(11-13-61-4)43-39(58)44-30(38(56)57)15-22-6-5-7-24(49)14-22/h5-9,14,16,19-21,28-31,33,37,42,49-51H,10-13,15,17-18H2,1-4H3,(H,41,54)(H,46,53)(H,56,57)(H2,43,44,58)(H,45,52,59)/b26-19-
• 国际化学标识检索码 InChIKey: AZGANZVUWUCOGH-XHPQRKPJSA-N

物理化学性质

• 密度: 1.427g/cm³ （计算值）