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Basic information
- Standard SMILES
CCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](N)C(=O)NCCCCCC(=O)O)OC(=O)CCCCCCCCCCC- InChIKey
QVMCOJRWJKRLHH-ZWXJPIIXSA-N- Molecular formula
- C36H68N2O7S
- Average molar mass
- 673 g/mol
- Monoisotopic mass
- 672.47472369
Names & identifiers
- Preferred name
- 6-((R)-2-amino-3-((R)-2,3-bis(dodecanoyloxy)propylthio)propanamido)hexanoic acid
- IUPAC
- 6-[[(2R)-2-amino-3-[(2R)-2,3-di(dodecanoyloxy)propyl]sulfanylpropanoyl]amino]hexanoic acid
Names & synonyms
SCHEMBL2418599QVMCOJRWJKRLHH-ZWXJPIIXSA-N6-((R)-2-amino-3-((R)-2,3-bis(dodecanoyloxy)propylthio)propanamido)hexanoic acid
Database identifiers
- PubChem CID
- 53476433
Properties
Computed structural propertiesFilling in
- XLogP
- 7.8
- Topological polar surface area
- 170 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 36
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 769
Related reactions
2 records
Compound notes
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