Chem
J-GLOBAL ID：200907078481954664   Nikkaji number：J1.128.195H

6-Oxopenicillanic acid tert-butyl ester

6-オキソペニシラン酸tert-ブチル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C12H17NO4S
Molecular formula furigana： C12-H17-N-O4-S
Molecular weight： 271.330
InChI： InChI=1S/C12H17NO4S/c1-11(2,3)17-10(16)7-12(4,5)18-9-6(14)8(15)13(7)9/h7,9H,1-5H3/t7-,9+/m0/s1
InChI key： GBIWFAUYGURYAY-IONNQARKSA-N
SMILES： CC(C)(C)OC(=O)[C@@H]1N2[C@H](SC1(C)C)C(=O)C2=O
Systematic name  (4)：
  • 6-オキソペニシラン酸tert-ブチル
  • (2S,5R)-3,3-ジメチル-6,7-ジオキソ-1-アザ-4-チアビシクロ[3.2.0]ヘプタン-2β-カルボン酸tert-ブチル
  • tert-ブチル (2S,5R)-3,3-ジメチル-6,7-ジオキソ-4-チア-1-アザビシクロ[3.2.0]ヘプタン-2-カルボキシラート
  • tert-butyl (2S,5R)-3,3-dimethyl-6,7-dioxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Other name (2)：
  • 6-Oxopenicillanic acid tert-butyl ester
  • (2S,5R)-3,3-Dimethyl-6,7-dioxo-1-aza-4-thiabicyclo[3.2.0]heptane-2β-carboxylic acid tert-butyl ester
Thsaurus map：
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