Basic information
- CAS
57802-02-5- Standard SMILES
CC(=O)COC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@H]2SC1(C)C- InChIKey
QTOUPKVZULEQOF-HLLBOEOZSA-N- Molecular formula
- C19H22N2O5S
- Average molar mass
- 390.5 g/mol
- Monoisotopic mass
- 390.12494298
Names & identifiers
- Preferred name
- 2-Oxopropyl(2s,5r,6r)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
- IUPAC
- 2-oxopropyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Names & synonyms
57802-02-5NSC80132-oxopropyl(2s,5r,6r)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylateDTXSID10278531NSC-80132-Oxopropyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Database identifiers
- CAS
57802-02-5- PubChem CID
- 222276
- DTXSID
DTXSID10278531
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 644
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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