Basic information
- Standard SMILES
CC(C)C(NC(=O)[C@H](C)N1CC[C@H](NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)C1=O)C(=O)C(F)(F)C(F)(F)F- InChIKey
JXJUNYQWXLGQAV-SIYBWXAISA-N- Molecular formula
- C26H31F5N4O6
- Average molar mass
- 590.5 g/mol
- Monoisotopic mass
- 590.21637553
Names & identifiers
- Preferred name
- 4-(Morpholine-4-carbonyl)-N-{(S)-2-oxo-1-[(S)-1-(3,3,4,4,4-pentafluoro-1-isopropyl-2-oxo-butylcarbamoyl)-ethyl]-pyrrolidin-3-yl}-benzamide
- IUPAC
- 4-(morpholine-4-carbonyl)-N-[(3S)-2-oxo-1-[(2S)-1-oxo-1-[(5,5,6,6,6-pentafluoro-2-methyl-4-oxohexan-3-yl)amino]propan-2-yl]pyrrolidin-3-yl]benzamide
Names & synonyms
CHEMBL833424-(Morpholine-4-carbonyl)-N-{(S)-2-oxo-1-[(S)-1-(3,3,4,4,4-pentafluoro-1-isopropyl-2-oxo-butylcarbamoyl)-ethyl]-pyrrolidin-3-yl}-benzamideDTXSID101348755BDBM50065148
Database identifiers
- PubChem CID
- 10698640
- DTXSID
DTXSID101348755- ChEMBL
CHEMBL83342
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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