Basic information
- Standard SMILES
C#CCC[C@@H](C(=O)N1C(=O)OC[C@@H]1c1ccccc1)[C@H](O)c1ccccc1- InChIKey
SLWWFPZBEPHDRN-VAMGGRTRSA-N- Molecular formula
- C22H21NO4
- Average molar mass
- 363.4 g/mol
- Monoisotopic mass
- 363.14705815
Names & identifiers
- Preferred name
- (4S)-3-{(2R)-2-[(S)-Hydroxy(phenyl)methyl]hex-5-ynoyl}-4-phenyl-1,3-oxazolidin-2-one
- IUPAC
- (4S)-3-[(2R)-2-[(S)-hydroxy(phenyl)methyl]hex-5-ynoyl]-4-phenyl-1,3-oxazolidin-2-one
Names & synonyms
SCHEMBL1199939SLWWFPZBEPHDRN-VAMGGRTRSA-N(4S)-3-{(2R)-2-[(S)-Hydroxy(phenyl)methyl]hex-5-ynoyl}-4-phenyl-1,3-oxazolidin-2-one
Database identifiers
- PubChem CID
- 57907409
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 568
Related reactions
8 records
Compound notes
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