uspto-grants-1984_12 · 10.6084/m9.figshare.5104873.v1 · US04487767
查看![7-[2-(2-aminothiazol-4-yl)-2-tert-butoxycarbonylmethoxyiminoacetamido]-3-[1-(2-tert-butoxycarbonylaminoethyl)-1H-tetrazol-5-yl]thiomethyl-3-cephem-4-carboxylic acid hydrochloride 分子结构式](/api/mol/131712783/svg/360x280.svg)
HCID131712783
7-[2-(2-aminothiazol-4-yl)-2-tert-butoxycarbonylmethoxyiminoacetamido]-3-[1-(2-tert-butoxycarbonylaminoethyl)-1H-tetrazol-5-yl]thiomethyl-3-cephem-4-carboxylic acid hydrochloride
(6R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]iminoacetyl]amino]-3-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrochloride
C27H37ClN10O9S3777.3 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CC(C)(C)OC(=O)CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3CCNC(=O)OC(C)(C)C)CS[C@H]12)c1csc(N)n1.Cl
- InChIKey
- FRQWQHGVMTUJBD-ACGHUIMASA-N
- 分子式
- C27H37ClN10O9S3
- 平均分子量
- 777.3 g/mol
- 单同位素质量
- 776.159564
COMPUTED
结构计算性质
- 极性表面积
- 334 Ų
- 氢键供体
- 5
- 氢键受体
- 18
- 可旋转键
- 17
- 重原子
- 50
- 形式电荷
- 0
- 复杂度
- 1,360
ALIASES
名称与别名
FRQWQHGVMTUJBD-ACGHUIMASA-N7-[2-(2-aminothiazol-4-yl)-2-tert-butoxycarbonylmethoxyiminoacetamido]-3-[1-(2-tert-butoxycarbonylaminoethyl)-1H-tetrazol-5-yl]thiomethyl-3-cephem-4-carboxylic acid hydrochloride
REACTIONS
参与反应
uspto-grants-1982_07 · 10.6084/m9.figshare.5104873.v1 · US04341775
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