uspto-grants-1987_10 · 10.6084/m9.figshare.5104873.v1 · US04703046
查看![7-[2-(2-Amino-5-bromothiazol-4-yl)-2-methoxyiminoacetamido]-2-methyl-3-cephem-4-carboxylic acid hydrochloride 分子结构式](/api/mol/131715364/svg/360x280.svg)
HCID131715364
7-[2-(2-Amino-5-bromothiazol-4-yl)-2-methoxyiminoacetamido]-2-methyl-3-cephem-4-carboxylic acid hydrochloride
(6R)-7-[[2-(2-amino-5-bromo-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrochloride
C14H15BrClN5O5S2512.8 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=CC(C)S[C@H]12)c1nc(N)sc1Br.Cl
- InChIKey
- VAHFUFVZQDKBRS-XZSWKFEASA-N
- 分子式
- C14H15BrClN5O5S2
- 平均分子量
- 512.8 g/mol
- 单同位素质量
- 510.93865
COMPUTED
结构计算性质
- 极性表面积
- 201 Ų
- 氢键供体
- 4
- 氢键受体
- 10
- 可旋转键
- 5
- 重原子
- 28
- 形式电荷
- 0
- 复杂度
- 735
ALIASES
名称与别名
VAHFUFVZQDKBRS-XZSWKFEASA-N7-[2-(2-amino-5-bromothiazol-4-yl)-2-methoxyiminoacetamido]-2-methyl-3-cephem-4-carboxylic acid hydrochloride
REACTIONS
参与反应
uspto-grants-1988_03 · 10.6084/m9.figshare.5104873.v1 · US04729991
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