Basic information
- Standard SMILES
CC1(C)SC2C(N)C(=O)N2C1C(=O)O- InChIKey
NGHVIOIJCVXTGV-UHFFFAOYSA-N- Molecular formula
- C8H12N2O3S
- Average molar mass
- 216.26 g/mol
- Monoisotopic mass
- 216.05686324
Names & identifiers
- Preferred name
- 6-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
- IUPAC
- 6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Names & synonyms
6-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid3115-55-76-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acidRefChem:3070884-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-amino-3,3-dimethyl-7-oxo-6-aminopenicillansaure6-AminopenicillinsaeureOxacillin Impurity 30SCHEMBL178253orb3029366DTXSID00859479PDK0270
Show more names
HMS5087H14ALBB-024974NSC50071BBL016490CCG-34863EBC-14642s5035STK249745
Database identifiers
- CAS
3115-55-7、551-16-6- PubChem CID
- 162
- DTXSID
DTXSID00859479- Nikkaji
- J931.575F
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 318
Related reactions
17 records
Linked notes
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