D-Alanyl-O-{10-[(4-ethylbenzoyl)oxy]decanoyl}-L-serine
Basic information
- CAS
921934-24-9- Standard SMILES
CCc1ccc(C(=O)OCCCCCCCCCC(=O)OC[C@H](NC(=O)[C@@H](C)N)C(=O)O)cc1- InChIKey
ICPRZSBSQZQCEN-NQIIRXRSSA-N- Molecular formula
- C25H38N2O7
- Average molar mass
- 478.6 g/mol
- Monoisotopic mass
- 478.26790156
Names & identifiers
- Preferred name
- D-Alanyl-O-{10-[(4-ethylbenzoyl)oxy]decanoyl}-L-serine
- IUPAC
- (2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-[10-(4-ethylbenzoyl)oxydecanoyloxy]propanoic acid
Names & synonyms
921934-24-9D-Alanyl-O-{10-[(4-ethylbenzoyl)oxy]decanoyl}-L-serineDTXSID20840945
Database identifiers
- CAS
921934-24-9- PubChem CID
- 71421900
- DTXSID
DTXSID20840945
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 19
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 633
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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