Basic information
- CAS
85916-30-9- Standard SMILES
CCOC(=O)C(CNC(=O)CSC(=O)c1ccccc1)NC(=O)CSC(=O)c1ccccc1- InChIKey
AVQVGLWOKIUHSY-UHFFFAOYSA-N- Molecular formula
- C23H24N2O6S2
- Average molar mass
- 488.6 g/mol
- Monoisotopic mass
- 488.10757884
Names & identifiers
- Preferred name
- Ethyl 2,3-bis[(2-benzoylsulfanylacetyl)amino]propanoate
- IUPAC
- ethyl 2,3-bis[(2-benzoylsulfanylacetyl)amino]propanoate
Names & synonyms
SCHEMBL11098136
Database identifiers
- CAS
85916-30-9- PubChem CID
- 21122016
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 169 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 14
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 690
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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