Basic information
- Standard SMILES
COC(=O)[C@@]12CO[C@@H](C(C)(C)C)N1C(=O)C(Cc1ccccc1)(Cc1ccccc1)C2- InChIKey
OGKVDGVHXLOJNL-BKMJKUGQSA-N- Molecular formula
- C26H31NO4
- Average molar mass
- 421.5 g/mol
Names & identifiers
- Preferred name
- (3S,7aR)-6,6-Dibenzyl-3-tert-butyl-1,6,7,7a-tetrahydro-5-oxopyrrolo[1,2-c]oxazole-7a-carboxylic Acid Methyl Ester
- IUPAC
- methyl (3S,7aR)-6,6-dibenzyl-3-tert-butyl-5-oxo-3,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-7a-carboxylate
Names & synonyms
SCHEMBL7233955OGKVDGVHXLOJNL-BKMJKUGQSA-N(3S,7aR)-6,6-Dibenzyl-3-tert-butyl-1,6,7,7a-tetrahydro-5-oxopyrrolo[1,2-c]oxazole-7a-carboxylic Acid Methyl Ester
Database identifiers
- PubChem CID
- 11069859
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 651
Related reactions
1 records
Compound notes
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