Basic information
- Standard SMILES
C=CCOC(=O)[C@@H](C(N)C(=O)OC(C)(C)C)C(O)c1nc2c(F)cc(Cl)cc2o1- InChIKey
AKOGJYRJHUTLJQ-OPFPJEHXSA-N- Molecular formula
- C19H22ClFN2O6
- Average molar mass
- 428.8 g/mol
Names & identifiers
- Preferred name
- 3(S)-(Allyloxycarbonyl)-amino-4-(6-chloro-4-fluorobenzoxazol-2-yl)-4-hydroxy-butyric Acid tert-Butyl Ester
- IUPAC
- 1-O-tert-butyl 4-O-prop-2-enyl (3S)-2-amino-3-[(6-chloro-4-fluoro-1,3-benzoxazol-2-yl)-hydroxymethyl]butanedioate
Names & synonyms
SCHEMBL6265470AKOGJYRJHUTLJQ-OPFPJEHXSA-N3(S)-(Allyloxycarbonyl)-amino-4-(6-chloro-4-fluorobenzoxazol-2-yl)-4-hydroxy-butyric Acid tert-Butyl Ester
Database identifiers
- PubChem CID
- 69725844
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 616
Related reactions
3 records
Compound notes
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