Basic information
- Standard SMILES
Cc1ccc(C2(CS[C@@H](C(=O)N3C(=O)OC[C@@H]3c3ccccc3)[C@@H](Nc3ccc(F)cc3)c3ccc(OCC(=O)OC(C)(C)C)cc3)OCC(C)(C)CO2)cc1- InChIKey
LLJHYBGASHIQIE-JRMVTZBZSA-N- Molecular formula
- C44H49FN2O8S
- Average molar mass
- 784.9 g/mol
- Monoisotopic mass
- 784.31936586
Names & identifiers
- Preferred name
- tert-Butyl (4-{(1S,2R)-2-({[5,5-dimethyl-2-(4-methylphenyl)-1,3-dioxan-2-yl]methyl}thio)-1-[(4-fluorophenyl)amino]-3-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl}phenoxy)acetate
- IUPAC
- tert-butyl 2-[4-[(1S,2R)-2-[[5,5-dimethyl-2-(4-methylphenyl)-1,3-dioxan-2-yl]methylsulfanyl]-1-(4-fluoroanilino)-3-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]phenoxy]acetate
Names & synonyms
LLJHYBGASHIQIE-JRMVTZBZSA-Ntert-Butyl (4-{(1S,2R)-2-({[5,5-dimethyl-2-(4-methylphenyl)-1,3-dioxan-2-yl]methyl}thio)-1-[(4-fluorophenyl)amino]-3-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl}phenoxy)acetate
Database identifiers
- PubChem CID
- 86619092
Properties
Computed structural properties
- XLogP
- 9.1
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 15
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,290
Related reactions
2 records
Compound notes
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