Name: Cefiderocol
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212035843
Cas No:1225208-94-5
常用名:Cefiderocol
别名:头孢地尔, S-649266, S649266, RSC649266, RSC 649266, GSK269626, GSK 269626
别名:头孢地尔, S-649266, S649266, RSC649266, RSC 649266, GSK269626, GSK 269626
IUPAC:1-{[(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1-carboxy-1-methylethoxy)imino]acetamido]-2-carboxylato-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}-1-{2-[(2-chloro-3,4-dihydroxyphenyl)formamido]ethyl}pyrrolidin-1-ium
IUPAC:1-{[(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1-carboxy-1-methylethoxy)imino]acetamido]-2-carboxylato-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}-1-{2-[(2-chloro-3,4-dihydroxyphenyl)formamido]ethyl}pyrrolidin-1-ium
InChI key:DBPPRLRVDVJOCL-FQRUVTKNSA-N

分子式:C30H34ClN7O10S2
分子量:752.21
氢键供体数 (HBD):6
氢键受体数 (HBA):13
LogP:-3.3137162
SMILES:CC(C)(O\N=C(/C(=O)N[C@H]1[C@H]2SCC(C[N+]3(CCNC(=O)c4ccc(O)c(O)c4Cl)CCCC3)=C(N2C1=O)C([O-])=O)c1csc(N)n1)C(O)=O
SMILES:CC(C)(O\N=C(/C(=O)N[C@H]1[C@H]2SCC(C[N+]3(CCNC(=O)c4ccc(O)c(O)c4Cl)CCCC3)=C(N2C1=O)C([O-])=O)c1csc(N)n1)C(O)=O

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