Basic information
- Standard SMILES
COc1ccc(CN2C(=O)[C@H](NC(=O)COc3ccccc3)[C@@H]2C(=O)O)c(OC)c1- InChIKey
KDOJLPSGVFUCPK-RTBURBONSA-N- Molecular formula
- C21H22N2O7
- Average molar mass
- 414.4 g/mol
- Monoisotopic mass
- 414.14270105
Names & identifiers
- Preferred name
- cis-3-Phenoxyacetamido-1-(2,4-dimethoxybenzyl)-4-oxoazetidine-2-carboxylic acid
- IUPAC
- (2R,3R)-1-[(2,4-dimethoxyphenyl)methyl]-4-oxo-3-[(2-phenoxyacetyl)amino]azetidine-2-carboxylic acid
Names & synonyms
SCHEMBL11389665KDOJLPSGVFUCPK-RTBURBONSA-Ncis-3-phenoxyacetamido-1-(2,4-dimethoxybenzyl)-4-oxoazetidine-2-carboxylic acid
Database identifiers
- PubChem CID
- 70577235
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 622
Related reactions
3 records
Compound notes
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