Basic information
- Standard SMILES
O=C(O)C1CCN(C(=O)c2ccccc2SSc2ccccc2C(=O)N2CCC(C(=O)O)CC2)CC1- InChIKey
JBYWYZQESLADEV-UHFFFAOYSA-N- Molecular formula
- C26H28N2O6S2
- Average molar mass
- 528.6 g/mol
Names & identifiers
- Preferred name
- 1,1'-[Dithiobis(2,1-phenylenecarbonyl)]bis-4-piperidine carboxylic acid
- IUPAC
- 1-[2-[[2-(4-carboxypiperidine-1-carbonyl)phenyl]disulfanyl]benzoyl]piperidine-4-carboxylic acid
Names & synonyms
SCHEMBL8375940JBYWYZQESLADEV-UHFFFAOYSA-N1,1'-[dithiobis(2,1-phenylenecarbonyl)]bis-4-piperidine carboxylic acid
Database identifiers
- PubChem CID
- 18935289
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 744
Related reactions
3 records
Compound notes
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