Basic information
- Standard SMILES
CC(=O)Nc1ccc(C(=O)SCC(C)C(=O)N2CSCC2C(=O)O)cc1- InChIKey
LSUKIWHWQDCNEE-UHFFFAOYSA-N- Molecular formula
- C17H20N2O5S2
- Average molar mass
- 396.5 g/mol
- Monoisotopic mass
- 396.08136409
Names & identifiers
- IUPAC
- 3-[3-(4-acetamidobenzoyl)sulfanyl-2-methylpropanoyl]-1,3-thiazolidine-4-carboxylic acid
Database identifiers
- PubChem CID
- 12813313
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 563
Related reactions
1 records
Compound notes
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