Basic information
- Standard SMILES
CCC(=O)CN(C1CCN(C(C)C(=O)O)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1- InChIKey
ANBWCZVASYWNCD-UHFFFAOYSA-N- Molecular formula
- C21H23ClN2O6S
- Average molar mass
- 466.9 g/mol
- Monoisotopic mass
- 466.0965353
Names & identifiers
- IUPAC
- 2-[3-[(6-chloronaphthalen-2-yl)sulfonyl-(2-oxobutyl)amino]-2-oxopyrrolidin-1-yl]propanoic acid
Database identifiers
- PubChem CID
- 22017251
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 813
Related reactions
3 records
Compound notes
Loading…