6-Acetylmethylenepenicillanic acid
Basic information
- CAS
83151-26-2- Standard SMILES
CC(=O)/C=C1\C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O- InChIKey
IKGZFJCMJFERPR-CNEXKXPGSA-N- Molecular formula
- C11H13NO4S
- Average molar mass
- 255.29 g/mol
- Monoisotopic mass
- 255.05652907
Overview
structure given in first source
Names & identifiers
- Preferred name
- 6-Acetylmethylenepenicillanic acid
- IUPAC
- (2S,5R,6E)-3,3-dimethyl-7-oxo-6-(2-oxopropylidene)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Names & synonyms
6-Acetylmethylenepenicillanic acidRo-15-190383151-26-2DTXSID50232192RefChem:104143DTXCID50154683(2S,5R,6E)-3,3-dimethyl-7-oxo-6-(2-oxopropylidene)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidRo 15-1903SCHEMBL17355824-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-oxopropylidene)-, (2S-cis)-
Database identifiers
- CAS
83151-26-2- PubChem CID
- 6439641
- DTXSID
DTXSID50232192- Nikkaji
- J23.739F
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 454
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationEndogenous substances and drugs that inhibit or block the activity of BETA-LACTAMASES.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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