HCID69675475

[1-(2-{5-[6-(4-{2-[1-(2-tert-Butoxycarbonylamino-2-phenyl-acetyl)-pyrrolidin-2-yl]-3H-imidazol-4-yl}-phenyl)-naphthalen-2-yl]-1H-imidazol-2-yl}-pyrrolidine-1-carbonyl)-2-methyl-propyl]-carbamic acid methyl ester

tert-butyl N-[2-[2-[5-[4-[6-[2-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate

C50H56N8O6865 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc3cc(-c4ccc(-c5cnc(C6CCCN6C(=O)C(NC(=O)OC(C)(C)C)c6ccccc6)[nH]5)cc4)ccc3c2)[nH]1)C(C)C
InChIKey: HKXKRWJAGNJINL-UHFFFAOYSA-N
分子式: C50H56N8O6
平均分子量: 865 g/mol
单同位素质量: 864.43228154

COMPUTED

结构计算性质

等待补全

XLogP: 7.7
极性表面积: 175 Å²
氢键供体: 4
氢键受体: 8
可旋转键: 14
重原子: 64
形式电荷: 0
复杂度: 1,600

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 3 条

SCHEMBL6126862HKXKRWJAGNJINL-UHFFFAOYSA-N[1-(2-{5-[6-(4-{2-[1-(2-tert-Butoxycarbonylamino-2-phenyl-acetyl)-pyrrolidin-2-yl]-3H-imidazol-4-yl}-phenyl)-naphthalen-2-yl]-1H-imidazol-2-yl}-pyrrolidine-1-carbonyl)-2-methyl-propyl]-carbamic acid methyl ester

REACTIONS