HCID66620324

{1-[5-(4'-{2-[1-(2-Methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-3H-imidazol-4-yl}-biphenyl-4-yl)-1'-phenyl-1',2',4',5'-tetrahydro-1H-[2,4']biimidazolyl-3'-carbonyl]-2-methyl-propyl}-carbamic acid methyl ester

methyl N-[1-[2-[5-[4-[4-[2-[3-[2-(methoxycarbonylamino)-3-methylbutanoyl]-1-phenylimidazolidin-4-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

C45H53N9O6816 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5CN(c6ccccc6)CN5C(=O)C(NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C
InChIKey: VTLWJTVOSAMUFE-UHFFFAOYSA-N
分子式: C45H53N9O6
平均分子量: 816 g/mol
单同位素质量: 815.41188044

COMPUTED

结构计算性质

等待补全

XLogP: 6.3
极性表面积: 178 Å²
氢键供体: 4
氢键受体: 9
可旋转键: 14
重原子: 60
形式电荷: 0
复杂度: 1,450

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 4 条

SCHEMBL203789VTLWJTVOSAMUFE-UHFFFAOYSA-N{1-[5-(4'-{2-[1-(2-Methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-3H-imidazol-4-yl}-biphenyl-4-yl)-1'-phenyl-1',2',4',5'-tetrahydro-1H-[2,4']biimidazolyl-3'-carbonyl]-2-methyl-propyl}-carbamic acid methyl ester{1-[5-(4'-{2-[1-(2-Methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-3H-imidazol-4-yl}-biphenyl-4-yl)-1'-phenyl-1',2',4',5'-tetrahydro-1H-[2,4]biimidazolyl-3'-carbonyl]-2-methyl-propyl}-carbamic acid methyl ester

REACTIONS