Basic information
- Standard SMILES
C[C@H](NC(=O)C1=C(O)c2ccc(Br)cc2C(C)(C)C1=O)C(=O)OC(C)(C)C- InChIKey
QGOYBDRDDPLCPC-JTQLQIEISA-N- Molecular formula
- C20H24BrNO5
- Average molar mass
- 438.3 g/mol
- Monoisotopic mass
- 437.08379
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl N-((7-bromo-4-hydroxy-1,1-dimethyl-2-oxo-naphthalen-3-yl)carbonyl)-L-alaninate
- IUPAC
- tert-butyl (2S)-2-[(6-bromo-1-hydroxy-4,4-dimethyl-3-oxonaphthalene-2-carbonyl)amino]propanoate
Names & synonyms
SCHEMBL1627098QGOYBDRDDPLCPC-JTQLQIEISA-N1,1-Dimethylethyl N-((7-bromo-4-hydroxy-1,1-dimethyl-2-oxo-naphthalen-3-yl)carbonyl)-L-alaninate
Database identifiers
- PubChem CID
- 67099893
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 676
Related reactions
4 records
Compound notes
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