uspto-grants-2000_02 · 10.6084/m9.figshare.5104873.v1 · US06020329
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HCID54213968
4-Methoxybenzyl (6R,7R)-3-(5-acetoxymethyl-tetrahydrofuran-2-yl)-7-phenylacetamidoceph-3-em-4-carboxylate
(4-methoxyphenyl)methyl (6R,7R)-3-[5-(acetyloxymethyl)oxolan-2-yl]-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
C30H32N2O8S580.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COc1ccc(COC(=O)C2=C(C3CCC(COC(C)=O)O3)CS[C@@H]3[C@H](NC(=O)Cc4ccccc4)C(=O)N23)cc1
- InChIKey
- PXVOXUCVOCUSIZ-OZPQMOCASA-N
- 分子式
- C30H32N2O8S
- 平均分子量
- 580.6 g/mol
- 单同位素质量
- 580.18793716
COMPUTED
结构计算性质
- XLogP
- 2.4
- 极性表面积
- 146 Ų
- 氢键供体
- 1
- 氢键受体
- 9
- 可旋转键
- 12
- 重原子
- 41
- 形式电荷
- 0
- 复杂度
- 1,020
ALIASES
名称与别名
SCHEMBL9696102PXVOXUCVOCUSIZ-OZPQMOCASA-N4-Methoxybenzyl (6R,7R)-3-(5-acetoxymethyl-tetrahydrofuran-2-yl)-7-phenylacetamidoceph-3-em-4-carboxylate4-Methoxybenzyl (6R,7R)-3-(5-acetoxymethyltetrahydrofuran-2-yl)-7-phenylacetamidoceph-3-em-4-carboxylate
REACTIONS
