HCID66621108

(4,4,4-Trifluoro-1-{2-[5-(4'-{2-[1-(2-methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-3H-imidazol-4-yl]-biphenyl-4-yl)-1H-imidazol-2-yl]-pyrrolidine-1-carbonyl}-butyl)-carbamic acid methyl ester

methyl N-[3-methyl-1-oxo-1-[2-[5-[4-[4-[2-[1-[5,5,5-trifluoro-2-(methoxycarbonylamino)pentanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate

C40H47F3N8O6792.8 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)NC(CCC(F)(F)F)C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5CCCN5C(=O)C(NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1
InChIKey: RZXMUAOZCUYTAW-UHFFFAOYSA-N
分子式: C40H47F3N8O6
平均分子量: 792.8 g/mol
单同位素质量: 792.35706573

COMPUTED

结构计算性质

已同步

XLogP: 5.6
极性表面积: 175 Å²
氢键供体: 4
氢键受体: 11
可旋转键: 14
重原子: 57
形式电荷: 0
复杂度: 1,380

ALIASES

名称与别名

共 3 条

(4,4,4-Trifluoro-1-{2-[5-(4'-{2-[1-(2-methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-3H-imidazol-4-yl]-biphenyl-4-yl)-1H-imidazol-2-yl]-pyrrolidine-1-carbonyl}-butyl)-carbamic acid methyl ester(4,4,4-trifluoro-1-{2-[5-(4'-{2-[1-(2-methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-3H-imidazol-4-yl}-biphenyl-4-yl)-1H-imidazol-2-yl]-pyrrolidine-1-carbonyl}-butyl)-carbamic acid methyl esterSCHEMBL205628

REACTIONS