HCID86705241

(+/-)-(1S,2R,65)-2-((tert-butoxycarbonyl)amino)-6-methyl-4-(3-nitropyridin-4-yl)cyclohex-3-en-1-yl methanesulfonate

[(1S,2R,6S)-6-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(3-nitro-4-pyridinyl)cyclohex-3-en-1-yl] methanesulfonate

C18H25N3O7S427.5 g/mol

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IDENTITY

结构与身份

标准SMILES: C[C@H]1CC(c2ccncc2[N+](=O)[O-])=C[C@@H](NC(=O)OC(C)(C)C)[C@H]1OS(C)(=O)=O
InChIKey: DOAYLAMENQSTRT-PEYYIBSZSA-N
分子式: C18H25N3O7S
平均分子量: 427.5 g/mol
单同位素质量: 427.14132132

COMPUTED

结构计算性质

已同步

XLogP: 1.9
极性表面积: 149 Å²
氢键供体: 1
氢键受体: 8
可旋转键: 6
重原子: 29
形式电荷: 0
复杂度: 749

ALIASES

名称与别名

共 4 条

SCHEMBL15588713DOAYLAMENQSTRT-PEYYIBSZSA-N(+/-)-(1S,2R,65)-2-((tert-butoxycarbonyl)amino)-6-methyl-4-(3-nitropyridin-4-yl)cyclohex-3-en-1-yl methanesulfonate(+/-)-(1S,2R,6S)-2-((tert-butoxycarbonyl)amino)-6-methyl-4-(3-nitropyridin-4-yl)cyclohex-3-en-1-yl methanesulfonate

REACTIONS

参与反应

2 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID705280

uspto-grants-2015_11

作为反应物

uspto-grants-2015_11 · 10.6084/m9.figshare.5104873.v1 · US09173883B2

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HRID879194

uspto-grants-2015_03

作为反应物

uspto-grants-2015_03 · 10.6084/m9.figshare.5104873.v1 · US08987457B2

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