Basic information
- CAS
53623-84-0- Standard SMILES
CC1(C)S[C@@H]2[C@H](NCOc3ccccc3)C(=O)N2[C@H]1C(=O)O- InChIKey
WSVPCFNOOLUBBQ-NTZNESFSSA-N- Molecular formula
- C15H18N2O4S
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.09872823
Names & identifiers
- Preferred name
- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenoxymethyl)amino]-, [2S-(2I+/-,5I+/-,6I(2))]-
- IUPAC
- (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(phenoxymethylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Names & synonyms
DTXSID3011065394-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenoxymethyl)amino]-, [2S-(2I+/-,5I+/-,6I(2))]-53623-84-0
Database identifiers
- CAS
53623-84-0- PubChem CID
- 165367229
- DTXSID
DTXSID301106539
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 464
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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