HCID112091

benzhydryl (6R,7R)-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

C29H26N2O5S514.6 g/molCAS 10209-10-6

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IDENTITY

结构与身份

标准 SMILES: CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](NC(=O)COc3ccccc3)[C@H]2SC1
InChIKey: AUNFRQANODILJJ-UFHPHHKVSA-N
分子式: C29H26N2O5S
平均分子量: 514.6 g/mol
单同位素质量: 514.15624311

COMPUTED

结构计算性质

已同步

XLogP: 4.5
极性表面积: 110 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 9
重原子: 37
形式电荷: 0
复杂度: 856

ALIASES

名称与别名

共 14 条

10209-10-6EINECS 233-510-9benzhydryl (6R,7R)-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateSCHEMBL11001684DTXSID00907080Diphenylmethyl 3-methyl-7beta-phenoxyacetamidoceph-3-em-4-carboxylate(6R,7R) 3-Methyl-7-phenoxyacetamidoceph-3-em-4-carboxylic Acid Diphenylmethyl Ester(6R,7R) 3-Methyl-7-phenoxyacetamidoceph-3-em-4-carboxylic Acid Diphenylmetyl Ester(6R,7R)3-Methyl-7-phenoxyacetamidoceph-3-em-4-carboxylic Acid Diphenylmethyl Ester5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-, diphenylmethyl ester, (6R,7R)-Diphenylmethyl (6R,7R)-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateDiphenylmethyl (6R-trans)-3-methyl-8-oxo-7-(phenoxyacetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylateN-{(6R,7R)-2-[(Diphenylmethoxy)carbonyl]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl}(phenoxy)ethanimidic acidN-{2-[(Diphenylmethoxy)carbonyl]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl}-2-phenoxyethanimidic acid

REACTIONS