Basic information
- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCCCCC)CC(=O)NCCC(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1- InChIKey
PLZSMQKAWQOQTH-NPGUAINNSA-N- Molecular formula
- C56H90N2O8
- Average molar mass
- 919.3 g/mol
Names & identifiers
- Preferred name
- dibenzyl N-[N-(3-hexadecanoyloxyoctadecanoyl)-beta-alanyl]-L-glutamate
- IUPAC
- dibenzyl (2S)-2-[3-(3-hexadecanoyloxyoctadecanoylamino)propanoylamino]pentanedioate
Names & synonyms
SCHEMBL10800235PLZSMQKAWQOQTH-NPGUAINNSA-Ndibenzyl N-[N-(3-hexadecanoyloxyoctadecanoyl)-beta-alanyl]-L-glutamate
Database identifiers
- PubChem CID
- 54196239
Properties
Computed structural properties
- XLogP
- 16.9
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 46
- Heavy atoms
- 66
- Formal charge
- 0
- Complexity
- 1,220
Related reactions
1 records
Compound notes
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