HCID20076586

2-(5-((tert-Butoxycarbonyl)amino)-1,2,4-thiadiazol-3-yl)-2-oxoacetic acid

2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,4-thiadiazol-3-yl]-2-oxoacetic acid

C9H11N3O5S273.27 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)OC(=O)Nc1nc(C(=O)C(=O)O)ns1
InChIKey: JPQCZOUBLNGLCZ-UHFFFAOYSA-N
分子式: C9H11N3O5S
平均分子量: 273.27 g/mol
单同位素质量: 273.04194163

COMPUTED

结构计算性质

已同步

XLogP: 1.4
极性表面积: 147 Å²
氢键供体: 2
氢键受体: 8
可旋转键: 5
重原子: 18
形式电荷: 0
复杂度: 368

ALIASES

名称与别名

共 7 条

78092-95-22-(5-((tert-Butoxycarbonyl)amino)-1,2,4-thiadiazol-3-yl)-2-oxoacetic acidSCHEMBL9121665JPQCZOUBLNGLCZ-UHFFFAOYSA-NDB-1632402-(5-Tert-butyloxycarbonylamino-1,2,4-thiadiazol-3-yl)-2-oxoacetic acid2-(5-{[(Tert-butoxy)carbonyl]amino}-1,2,4-thiadiazol-3-yl)-2-oxoacetic acid

REACTIONS

参与反应

4 条

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 (5/10) · 10.1039/C8SC04228D

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uspto-grants-1993_08 · 10.6084/m9.figshare.5104873.v1 · US05233035

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uspto-grants-1993_08 · 10.6084/m9.figshare.5104873.v1 · US05233035

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