Basic information
- CAS
17028-66-9- Standard SMILES
Cc1ccc(C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)O)cc1- InChIKey
BSLKNKFJUMRZFT-UHIISALHSA-N- Molecular formula
- C16H18N2O4S
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.09872823
Names & identifiers
- Preferred name
- (2S,5R,6R)-3,3-Dimethyl-6-[(4-methylbenzoyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- IUPAC
- (2S,5R,6R)-3,3-dimethyl-6-[(4-methylbenzoyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Names & synonyms
DTXSID801109407(2S,5R,6R)-3,3-Dimethyl-6-[(4-methylbenzoyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid17028-66-9
Database identifiers
- CAS
17028-66-9- PubChem CID
- 12797478
- DTXSID
DTXSID801109407- EC Number
- 605-574-1
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 542
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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