Basic information
- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OCC(CSCCC(=O)Nc1ccc(C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(F)c1)OC(=O)CCCCCCCCCCCCCCC- InChIKey
DWEBFGGKZYMAKH-QDAITDSVSA-N- Molecular formula
- C58H99FN2O10S
- Average molar mass
- 1,035.5 g/mol
Names & identifiers
- Preferred name
- 4-(6,7-Bis(palmitoyloxy)-4-thiaheptanoyl)amino-2-fluorobenzoylglutamic acid di-t-butyl ester
- IUPAC
- ditert-butyl (2S)-2-[[4-[3-[2,3-di(hexadecanoyloxy)propylsulfanyl]propanoylamino]-2-fluorobenzoyl]amino]pentanedioate
Names & synonyms
SCHEMBL9088521DWEBFGGKZYMAKH-QDAITDSVSA-N4-(6,7-bis(palmitoyloxy)-4- thiaheptanoyl)amino- 2-fluorobenzoylglutamic acid di-t-butyl ester4-(6,7-bis(palmitoyloxy)-4-thiaheptanoyl)amino-2-fluorobenzoylglutamic acid di-t-butyl ester
Database identifiers
- PubChem CID
- 53782356
Properties
Computed structural properties
- XLogP
- 17.7
- Topological polar surface area
- 189 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 49
- Heavy atoms
- 72
- Formal charge
- 0
- Complexity
- 1,470
Related reactions
2 records
Compound notes
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