Basic information
- CAS
910024-37-2- Standard SMILES
CC(Oc1ccccc1)C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O- InChIKey
NONJJLVGHLVQQM-UHFFFAOYSA-N- Molecular formula
- C17H20N2O5S
- Average molar mass
- 364.4 g/mol
- Monoisotopic mass
- 364.10929292
Names & identifiers
- Preferred name
- 3,3-Dimethyl-7-oxo-6-[(2-phenoxypropanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- IUPAC
- 3,3-dimethyl-7-oxo-6-(2-phenoxypropanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Names & synonyms
Pheneticillin;alpha-Phenoxyethylpenicillin910024-37-24-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenoxypropionamido)-3,3-dimethyl-7-oxo-6-[(2-phenoxypropanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidMLS006011455CHEMBL1622026SCHEMBL17238870DTXSID10859263AKOS030241148SMR004703257NS000063933,3-dimethyl-7-oxo-6-(2-phenoxypropanamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Database identifiers
- CAS
910024-37-2- PubChem CID
- 4759
- DTXSID
DTXSID10859263- ChEMBL
CHEMBL1622026
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 575
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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