Basic information
- Standard SMILES
COC(=O)[C@H](CCC(=O)c1ccc(F)c(F)c1)NC(=O)OC(C)(C)C- InChIKey
XIWQSNQYYMQENV-ZDUSSCGKSA-N- Molecular formula
- C17H21F2NO5
- Average molar mass
- 357.3 g/mol
Names & identifiers
- Preferred name
- methyl (S)-2-tert-butoxycarbonylamino-5-(3,4-difluorophenyl)-5-oxopentanoate
- IUPAC
- methyl (2S)-5-(3,4-difluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
Names & synonyms
SCHEMBL2575496XIWQSNQYYMQENV-ZDUSSCGKSA-Nmethyl (S)-2-tert-butoxycarbonylamino-5-(3,4-difluorophenyl)-5-oxopentanoate
Database identifiers
- PubChem CID
- 67458709
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 492
Related reactions
1 records
Compound notes
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