HCID88684412

t-Butyl 2-bromo-3-bromomethyl-7-formamido-3-cephem-4-carboxylate 1-oxide

tert-butyl (6R)-4-bromo-3-(bromomethyl)-7-formamido-5,8-dioxo-5lambda4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

C13H16Br2N2O5S472.15 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)OC(=O)C1=C(CBr)C(Br)S(=O)[C@@H]2C(NC=O)C(=O)N12
InChIKey: YECYMGRFPRRUDN-ZUGRWAAUSA-N
分子式: C13H16Br2N2O5S
平均分子量: 472.15 g/mol
单同位素质量: 469.91467

COMPUTED

结构计算性质

已同步

XLogP: 0.3
极性表面积: 112 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 5
重原子: 23
形式电荷: 0
复杂度: 616

ALIASES

名称与别名

共 4 条

SCHEMBL10879284YECYMGRFPRRUDN-ZUGRWAAUSA-Nt-butyl 2-bromo-3-bromomethyl-7-formamido-3-cephem-4-carboxylate 1-oxidet-butyl 2-bromo-3-bromomethyl-7-formamido-3-cephem-4-carboxylate-1-oxide

REACTIONS

参与反应

2 条

uspto-grants-1982_08 · 10.6084/m9.figshare.5104873.v1 · US04347358

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uspto-grants-1980_01 · 10.6084/m9.figshare.5104873.v1 · US04182870

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