Basic information
- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCCCCC)CC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O- InChIKey
HRFCHOCXKFKQNI-ZWEGDWOZSA-N- Molecular formula
- C53H91N3O10
- Average molar mass
- 930.3 g/mol
- Monoisotopic mass
- 929.67044611
Names & identifiers
- Preferred name
- N-[Nalpha-(3-hexadecanoyloxyoctadecanoyl)-Nepsilon-benzyloxycarbonyl-L-lysyl]-L-glutamic acid
- IUPAC
- (2S)-2-[[(2S)-2-(3-hexadecanoyloxyoctadecanoylamino)-6-(phenylmethoxycarbonylamino)hexanoyl]amino]pentanedioic acid
Names & synonyms
SCHEMBL11201838HRFCHOCXKFKQNI-ZWEGDWOZSA-NN-[Nalpha -(3-hexadecanoyloxyoctadecanoyl)-Nepsilon -benzyloxycarbonyl-L-lysyl]-L-glutamic acid
Database identifiers
- PubChem CID
- 86741313
Properties
Computed structural properties
- XLogP
- 15.7
- Topological polar surface area
- 197 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 47
- Heavy atoms
- 66
- Formal charge
- 0
- Complexity
- 1,260
Related reactions
1 records
Compound notes
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