Basic information
- Standard SMILES
CC1(CBr)S[C@@H]2C(NC(=O)COc3ccccc3)C(=O)N2C1C(=O)O- InChIKey
LOFLDERAJRJYFK-VTUJEPCUSA-N- Molecular formula
- C16H17BrN2O5S
- Average molar mass
- 429.3 g/mol
Names & identifiers
- Preferred name
- 2-Bromomethyl-2-methyl-6-(2-phenoxyacetamido)penam-3-carboxylic acid
- IUPAC
- (5R)-3-(bromomethyl)-3-methyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Names & synonyms
SCHEMBL10411196LOFLDERAJRJYFK-VTUJEPCUSA-N2-bromomethyl-2-methyl-6-(2-phenoxyacetamido)penam-3-carboxylic acid6-(2-phenoxyacetamido)-2-methyl-2-bromomethylpenam-3-carboxylic acid
Database identifiers
- PubChem CID
- 12895258
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 571
Related reactions
11 records
Compound notes
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