(2S,5R)-Benzhydryl 3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxide

HCID 178784546CAS 76911-24-5

基本情報

標準SMILES: CC1(C)[C@H](C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C[C@H]2S1=O
InChIKey: AZIUCAWYSMPKQK-HVHNRQALSA-N
分子式: C21H21NO4S
平均分子量: 383.5 g/mol

名称と識別子

優先名称: (2S,5R)-Benzhydryl 3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxide
IUPAC: benzhydryl (2S,5R)-3,3-dimethyl-4,7-dioxo-4λ4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
英語名: (2S,5R)-4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-, diphenylmethyl ester, 4-oxide
分子式: C21H21NO4S
分子量: 383.466

名称と別名

87579-78-0(2S,5R)-Benzhydryl 3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxideBenzhydryl 6,6-dihydropenicillic acid 1-oxide[Tazobactam intermediate]MFCD11044527benzhydryl (2S,5R)-3,3-dimethyl-4,7-dioxo-4lambda4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylatebenzhydryl (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxideTazobactam Impurity 4(2S,5R)-3,3-dimethyl-7-oxo-4-oxide-4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid Diphenylmethyl EsterBenzhydryl 6,6-dihydropenicillic acid 1-oxideTazobactam Acid Impurity 24(2S,5R)-2beta-[(Benzhydryloxy)carbonyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane4-oxide123285-28-9

名称をさらに表示

Tazobactam Impurity 49TazobactamAcidImpurity41Tazobactam Acid Impurity 23(2S,5R)-4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-, diphenylmethyl ester, 4-oxide

SCHEMBL11174186DTXSID50466738EX-A1376AKOS015999672(2S,5R)-3,3-Dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid diphenylmethyl ester 4-oxideDS-17758SY225976CS-0028578

データベース識別子

CAS: 76911-24-5
Nikkaji: J381.677J

物性

構造計算による物性

XLogP: 2.1
極性表面積: 82.9 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 5
重原子数: 27
形式電荷: 0
複雑度: 604

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