Basic information
- Standard SMILES
CCCCC(C)(C)C(=O)NC[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C[C@H](C=O)C(C)C- InChIKey
ZHJNKNCYZXOVJZ-AABGKKOBSA-N- Molecular formula
- C25H46N2O5
- Average molar mass
- 454.6 g/mol
- Monoisotopic mass
- 454.34067257
Names & identifiers
- Preferred name
- (4S,5S)-tert-butyl 5-((2,2-dimethylhexanamido)methyl)-4-((S)-2-formyl-3-methylbutyl)-2,2-dimethyloxazolidine-3-carboxylate
- IUPAC
- tert-butyl (4S,5S)-5-[(2,2-dimethylhexanoylamino)methyl]-4-[(2S)-2-formyl-3-methylbutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
Names & synonyms
SCHEMBL3787039ZHJNKNCYZXOVJZ-AABGKKOBSA-N(4S,5S)-tert-butyl 5-((2,2-dimethylhexanamido)methyl)-4-((S)-2-formyl-3-methylbutyl)-2,2-dimethyloxazolidine-3-carboxylate
Database identifiers
- PubChem CID
- 59630987
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 651
Related reactions
1 records
Compound notes
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