Basic information
- CAS
827019-17-0- Standard SMILES
CCOC(=O)C(C[C@H](NC(C)=O)C(=O)OC(C)(C)C)C(=O)c1ccccc1- InChIKey
DZWNVYOEQKFOHU-LYKKTTPLSA-N- Molecular formula
- C20H27NO6
- Average molar mass
- 377.4 g/mol
- Monoisotopic mass
- 377.18383758
Names & identifiers
- Preferred name
- 1-tert-Butyl 5-ethyl (2S)-2-acetamido-4-benzoylpentanedioate
- IUPAC
- 5-O-tert-butyl 1-O-ethyl (4S)-4-acetamido-2-benzoylpentanedioate
Names & synonyms
827019-17-0DTXSID808371941-tert-Butyl 5-ethyl (2S)-2-acetamido-4-benzoylpentanedioate
Database identifiers
- CAS
827019-17-0- PubChem CID
- 71417864
- DTXSID
DTXSID80837194
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 98.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 545
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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