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Pyridinium,4-[[[7-[[(2-amino-4-thiazolyl)[(1-carboxyethoxy)imino]acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]thio]-1-methyl-,inner salt, [6R-[6a,7b[Z(S*)]]]- (9CI) | 115369-51-2

Pyridinium,4-[[[7-[[(2-amino-4-thiazolyl)[(1-carboxyethoxy)imino]acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]thio]-1-methyl-,inner salt, [6R-[6a,7b[Z(S*)]]]- (9CI)结构式图片|115369-51-2结构式图片
Pyridinium,4-[[[7-[[(2-amino-4-thiazolyl)[(1-carboxyethoxy)imino]acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]thio]-1-methyl-,inner salt, [6R-[6a,7b[Z(S*)]]]- (9CI)
115369-51-2
C22H22N6O7S3
578.64108
9589556
名称和标识符
InChIKey GQIHZCHGOMYINO-BGAMOACTSA-N
Inchi InChI=1S/C22H22N6O7S3/c1-10(20(31)32)35-26-14(13-9-38-22(23)24-13)17(29)25-15-18(30)28-16(21(33)34)11(8-37-19(15)28)7-36-12-3-5-27(2)6-4-12/h3-6,9-10,15,19H,7-8H2,1-2H3,(H4-,23,24,25,29,31,32,33,34)/b26-14+/t10-,15-,19-/m0/s1
SMILES OC([C@@H](O/N=C(\C1=CSC(N)=N1)/C(N[C@H]1C(=O)N2C(=C(CS[C@@H]12)CSC1C=C[N+](C)=CC=1)C([O-])=O)=O)C)=O
别名信息
- 中文别名 -
- 英文别名 -
  • Pyridinium,4-[[[7-[[(2-amino-4-thiazolyl)[(1-carboxyethoxy)imino]acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]thio]-1-methyl-,inner salt, [6R-[6a,7b[Z(S*)]]]- (9CI)
  • LogP
  • (6S,7S)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1S)-1-carboxyethoxy]iminoacetyl]amino]-3-[(1-methylpyridin-1-ium-4-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • Pyridinium,4-[[[7-[[(2-amino-4-thiazolyl)[(1-carboxyethoxy)imino]acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-
  • Pyridinium, 4-(((7-(((2-amino-4-thiazolyl)((1-carboxyethoxy)imino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)thio)-1-methyl-, hydroxide, inner salt, (6R-(6-alpha,7-beta(Z(S*))))-
  • 115369-51-2
物化性质
计算特性
精确分子量 578.07121058g/mol
氢键供体数量 3
氢键受体数量 13
可旋转化学键数量 9
同位素质量 578.07121058g/mol
重原子数量 38
复杂度 1030
同位素原子数量 0
确定原子立构中心数量 3
不确定原子立构中心数量 0
确定化学键立构中心数量 1
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 0.7
拓扑分子极性表面积 270Ų
专业数据库参考
PubChemId 9589556
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Pyridinium,4-[[[7-[[(2-amino-4-thiazolyl)[(1-carboxyethoxy)imino]acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]thio]-1-methyl-,inner salt, [6R-[6a,7b[Z(S*)]]]- (9CI)推荐生产厂家
960化工网为您提供Pyridinium,4-[[[7-[[(2-amino-4-thiazolyl)[(1-carboxyethoxy)imino]acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]thio]-1-methyl-,inner salt, [6R-[6a,7b[Z(S*)]]]- (9CI)专业化合物百科信息,包括中文名,英文名,分子式,分子量,以及该化合物的CasNo.:115369-51-2,和相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等;| WAP 版:115369-51-2
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