Basic information
- CAS
911670-51-4- Standard SMILES
CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)OCc1ccc2ccccc2n1- InChIKey
CXOSFBNPYPGLMC-AOHZBQACSA-N- Molecular formula
- C26H25N3O4S
- Average molar mass
- 475.6 g/mol
- Monoisotopic mass
- 475.15657746
Names & identifiers
- Preferred name
- 2-Quinolinylmethyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
- IUPAC
- quinolin-2-ylmethyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Names & synonyms
DTXSID7011045852-Quinolinylmethyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate911670-51-4
Database identifiers
- CAS
911670-51-4- PubChem CID
- 165366992
- DTXSID
DTXSID701104585
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 799
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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