Basic information
- Standard SMILES
NC(=O)CC(SCc1ccccc1)C(=O)O- InChIKey
IASJBAMTXKYYBQ-UHFFFAOYSA-N- Molecular formula
- C11H13NO3S
- Average molar mass
- 239.29 g/mol
Names & identifiers
- Preferred name
- 4-Amino-2-benzylsulfanyl-4-oxobutanoic acid
- IUPAC
- 4-amino-2-benzylsulfanyl-4-oxobutanoic acid
Names & synonyms
SCHEMBL9854865
Database identifiers
- PubChem CID
- 19981888
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 252
Related reactions
1 records
Compound notes
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