Basic information
- Standard SMILES
CCCCCCCCCCCCCCOCC(CSCCC(=O)Nc1ccc(C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1)OCCCCCCCCCCCCCC- InChIKey
MUNGHYXWHOPRRM-HOMNMMCZSA-N- Molecular formula
- C54H96N2O8S
- Average molar mass
- 933.4 g/mol
- Monoisotopic mass
- 932.6887392
Names & identifiers
- Preferred name
- (4-(6,7-Bis(myristyloxy)-4-thiaheptanoylamino)benzoyl)glutamic acid di-t-butyl ester
- IUPAC
- ditert-butyl (2S)-2-[[4-[3-[2,3-di(tetradecoxy)propylsulfanyl]propanoylamino]benzoyl]amino]pentanedioate
Names & synonyms
SCHEMBL9085935MUNGHYXWHOPRRM-HOMNMMCZSA-N(4-(6,7-bis(myristyloxy)-4-thiaheptanoylamino)benzoyl)glutamic acid di-t-butyl ester
Database identifiers
- PubChem CID
- 54092033
Properties
Computed structural properties
- XLogP
- 16.2
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 45
- Heavy atoms
- 65
- Formal charge
- 0
- Complexity
- 1,200
Related reactions
1 records
Compound notes
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