HCID59533294

(5R,8S)-7-((S)-2-Amino-3,3-dimethyl-butyryl)-10,10-dimethyl-7-aza-dispiro[3.0.4.1]decane-8-carboxylic acid [(1R,2S)-1-(pyrrolidine-1-sulfonylaminocarbonyl)-2-vinyl-cyclopropyl]-amide

(5R,8S)-7-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-[(1R,2S)-2-ethenyl-1-(pyrrolidin-1-ylsulfonylcarbamoyl)cyclopropyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide

C28H45N5O5S563.8 g/mol

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IDENTITY

结构与身份

标准SMILES: C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](N)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N1CCCC1
InChIKey: WRWMNDHONAGIGH-YJAIFSITSA-N
分子式: C28H45N5O5S
平均分子量: 563.8 g/mol
单同位素质量: 563.31414073

COMPUTED

结构计算性质

等待补全

XLogP: 2.9
极性表面积: 150 Å²
氢键供体: 3
氢键受体: 7
可旋转键: 8
重原子: 39
形式电荷: 0
复杂度: 1,190

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 3 条

SCHEMBL583321WRWMNDHONAGIGH-YJAIFSITSA-N(5R,8S)-7-((S)-2-Amino-3,3-dimethyl-butyryl)-10,10-dimethyl-7-aza-dispiro[3.0.4.1]decane-8-carboxylic acid [(1R,2S)-1-(pyrrolidine-1-sulfonylaminocarbonyl)-2-vinyl-cyclopropyl]-amide

REACTIONS