Basic information
- Standard SMILES
Cc1c(F)cc(C[C@@H]([C@H](OCc2ccccc2)[C@H]2CO[C@@H](OCC(C)(C)C)[C@H](C)N2C(=O)OC(C)(C)C)N(Cc2ccccc2)Cc2ccccc2)cc1F- InChIKey
UKQHQGXJLLXZLU-ULHSYMOISA-N- Molecular formula
- C46H58F2N2O5
- Average molar mass
- 757 g/mol
Names & identifiers
- Preferred name
- (2R,3S,5R)-5-[(1S,2S)-1-benzyloxy-2-dibenzylamino-3-(4-methyl-3,5-difluorophenyl)-propyl]-2-(2,2-dimethylpropoxy)-3-methylmorpholine-4-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl (2R,3S,5R)-5-[(1S,2S)-2-(dibenzylamino)-3-(3,5-difluoro-4-methylphenyl)-1-phenylmethoxypropyl]-2-(2,2-dimethylpropoxy)-3-methylmorpholine-4-carboxylate
Names & synonyms
SCHEMBL3244985UKQHQGXJLLXZLU-ULHSYMOISA-N(2R,3S,5R)-5-[(1S,2S)-1-benzyloxy-2-dibenzylamino-3-(4-methyl-3,5-difluorophenyl)-propyl]-2-(2,2-dimethylpropoxy)-3-methylmorpholine-4-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 68564308
Properties
Computed structural properties
- XLogP
- 10
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 17
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,100
Related reactions
1 records
Compound notes
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