HCID16228609

2-[(Ethylsulfonyl)amino]-3-methylbutanoic acid

2-(ethylsulfonylamino)-3-methylbutanoic acid

C7H15NO4S209.27 g/mol

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IDENTITY

结构与身份

标准SMILES: CCS(=O)(=O)NC(C(=O)O)C(C)C
InChIKey: KFGUHWIFCVPAPL-UHFFFAOYSA-N
分子式: C7H15NO4S
平均分子量: 209.27 g/mol
单同位素质量: 209.07217913

COMPUTED

结构计算性质

等待补全

XLogP: 0.7
极性表面积: 91.9 Å²
氢键供体: 2
氢键受体: 5
可旋转键: 5
重原子: 13
形式电荷: 0
复杂度: 265

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 10 条

(Ethylsulfonyl)valine2-ethanesulfonamido-3-methylbutanoic acid174602-63-22-[(ethylsulfonyl)amino]-3-methylbutanoic acidSCHEMBL6341063AKOS000131707AKOS017264841CS-0273753EN300-87040Z53825200

REACTIONS

相关反应

7 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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