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Isoquinolinium,2-[[(6R,7R)-7-[[(2-amino-4-thiazolyl)[(1-carboxy-1-methylethoxy)imino]acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-6,7-dihydroxy-,inner salt (9CI) | 119068-46-1

Isoquinolinium,2-[[(6R,7R)-7-[[(2-amino-4-thiazolyl)[(1-carboxy-1-methylethoxy)imino]acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-6,7-dihydroxy-,inner salt (9CI)结构式图片|119068-46-1结构式图片
Isoquinolinium,2-[[(6R,7R)-7-[[(2-amino-4-thiazolyl)[(1-carboxy-1-methylethoxy)imino]acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-6,7-dihydroxy-,inner salt (9CI)
119068-46-1
C26H24N6O9S2
628.6336
9577438
名称和标识符
InChIKey XMOLQYFYIRKUAY-PLEZTBHSSA-N
Inchi InChI=1S/C26H24N6O9S2/c1-26(2,24(39)40)41-30-17(14-10-43-25(27)28-14)20(35)29-18-21(36)32-19(23(37)38)13(9-42-22(18)32)8-31-4-3-11-5-15(33)16(34)6-12(11)7-31/h3-7,10,18,22H,8-9H2,1-2H3,(H6,27,28,29,34,35,37,38,39,40)/b30-17+/t18-,22-/m1/s1
SMILES NC1=NC(/C(=N\OC(C(O)=O)(C)C)/C(N[C@@H]2C(=O)N3[C@@H]2SCC(C[N+]2C=CC4=C(C=C(O)C(O)=C4)C=2)=C3C([O-])=O)=O)=CS1
别名信息
- 中文别名 -
- 英文别名 -
  • Isoquinolinium,2-[[(6R,7R)-7-[[(2-amino-4-thiazolyl)[(1-carboxy-1-methylethoxy)imino]acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-6,7-dihydroxy-,inner salt (9CI)
  • (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-3-[(6,7-dihydroxyisoquinolin-2-ium-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • Isoquinolinium,2-[[(6R,7R)-7-[[(2-amino-4-thiazolyl)[(1-carboxy-1-methylethoxy)imino]acetyl]amino]-2-carboxy-8-oxo-5-thia-1-a
  • AKOS040750888
  • Isoquinolinium, 2-((7-(((2-amino-4-thiazolyl)((1-carboxy-1-methylethoxy)imino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-6,7-dihydroxy-, hydroxide, inner salt, (6R-trans)-
  • 119068-46-1
  • BO-1341
  • BO 1341
物化性质
计算特性
精确分子量 628.10461871g/mol
氢键供体数量 5
氢键受体数量 14
可旋转化学键数量 8
同位素质量 628.10461871g/mol
重原子数量 43
复杂度 1230
同位素原子数量 0
确定原子立构中心数量 2
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) 1
拓扑分子极性表面积 285Ų
专业数据库参考
PubChemId 9577438
Isoquinolinium,2-[[(6R,7R)-7-[[(2-amino-4-thiazolyl)[(1-carboxy-1-methylethoxy)imino]acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-6,7-dihydroxy-,inner salt (9CI)推荐生产厂家
960化工网为您提供Isoquinolinium,2-[[(6R,7R)-7-[[(2-amino-4-thiazolyl)[(1-carboxy-1-methylethoxy)imino]acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-6,7-dihydroxy-,inner salt (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.:119068-46-1,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:119068-46-1
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