Basic information
- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCCCCC)CC(=O)NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)O- InChIKey
YVGPDRMHEMEWOE-QWRJABQPSA-N- Molecular formula
- C46H80N2O6
- Average molar mass
- 757.1 g/mol
Names & identifiers
- Preferred name
- N-[N-(3-hexadecanoyloxyoctadecanoyl)-beta-alanyl]-L-phenylalanine
- IUPAC
- (2S)-2-[3-(3-hexadecanoyloxyoctadecanoylamino)propanoylamino]-3-phenylpropanoic acid
Names & synonyms
SCHEMBL11101276YVGPDRMHEMEWOE-QWRJABQPSA-NN-[N-(3-hexadecanoyloxyoctadecanoyl)-beta-alanyl]-L-phenylalanine
Database identifiers
- PubChem CID
- 54529173
Properties
Computed structural properties
- XLogP
- 15.3
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 39
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 921
Related reactions
1 records
Compound notes
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