Chem
J-GLOBAL ID：200907083941023650   Nikkaji number：J192.646B

Penicillanic Acid

ペニシラン酸
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： C8H11NO3S
Molecular formula furigana： C8-H11-N-O3-S
Molecular weight： 201.240
InChI： InChI=1S/C8H11NO3S/c1-8(2)6(7(11)12)9-4(10)3-5(9)13-8/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1
InChI key： RBKMMJSQKNKNEV-RITPCOANSA-N
SMILES： CC1(C)S[C@@H]2CC(=O)N2[C@H]1C(=O)O
Systematic name  (4)：
  • ペニシラン酸
  • (2S,5R)-3,3-ジメチル-7-オキソ-4-チア-1-アザビシクロ[3.2.0]ヘプタン-2-カルボン酸
  • (2S,5β)-3,3-ジメチル-7-オキソ-4-チア-1-アザビシクロ[3.2.0]ヘプタン-2β-カルボン酸
  • (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Other name (2)：
  • (2S,5β)-3,3-Dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2β-carboxylic acid
  • Penicillanic acid
CAS registry number： 87-53-6
Regulation number (1)：
  • EINECS2017503
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