L-Lysine,8-difluoro-7-methyl-4-oxo-4H-1-benzopyran-2-yl)-2-fluorophenyl]amide, dimethanesulfonate
Basic information
- CAS
468719-53-1- Standard SMILES
CS(=O)(=O)O.Cc1c(F)c(N)c2c(=O)cc(-c3ccc(NC(=O)[C@@H](N)CCCCN)c(F)c3)oc2c1F- InChIKey
MJVICFBYAVBBOA-ZOWNYOTGSA-N- Molecular formula
- C23H27F3N4O6S
- Average molar mass
- 544.5 g/mol
- Monoisotopic mass
- 544.16034025
Names & identifiers
- Preferred name
- L-Lysine,8-difluoro-7-methyl-4-oxo-4H-1-benzopyran-2-yl)-2-fluorophenyl]amide, dimethanesulfonate
- IUPAC
- (2S)-2,6-diamino-N-[4-(5-amino-6,8-difluoro-7-methyl-4-oxochromen-2-yl)-2-fluorophenyl]hexanamide;methanesulfonic acid
Names & synonyms
NSC710464CHEMBL1970911NSC-7104644H-1-Benzopyran-4-one,8-difluoro- 2-[3-fluoro-4-[(L-lysyl)amino]phenyl]-7-methyl-, dimethanesulfonateHexanamide,6-diamino-N-[4-(5-amino-6,8-difluoro-7-methyl-4-oxo-4H-1-benzopyran-2-yl)-2-fluorophenyl]-, (2S)-, dimethanesulfonate saltL-Lysine,8-difluoro-7-methyl-4-oxo- 4H-1-benzopyran-2-yl)-2-fluorophenyl]amide, dimethanesulfonate
Database identifiers
- CAS
468719-53-1- PubChem CID
- 399587
- ChEMBL
CHEMBL1970911
Properties
Computed structural properties
- Topological polar surface area
- 196 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 817
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…