Name: BO 1236
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214318316
Cas No:105358-77-8
常用名:BO 1236
别名:BO-1236, BO1236
IUPAC:2-{[(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}-5,6-dihydroxy-2-methyl-2,3-dihydro-1H-isoindol-2-ium
IUPAC:2-{[(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}-5,6-dihydroxy-2-methyl-2,3-dihydro-1H-isoindol-2-ium
InChI key:QDBUMQXESHMJDI-XMSQKQJNSA-N

分子式:C26H28N6O9S2
分子量:632.66
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12SCC(C[N+]3(C)Cc4cc(O)c(O)cc4C3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC(C)(C)C(O)=O)\c1csc(N)n1)C([O-])=O |c:19|
SMILES:[H][C@]12SCC(C[N+]3(C)Cc4cc(O)c(O)cc4C3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC(C)(C)C(O)=O)\c1csc(N)n1)C([O-])=O |c:19|

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