Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)N2CCSC[C@H]2C(=O)NC(C(=O)OCc2ccccc2)C(C)C)cc1- InChIKey
KCXJDWKNHHDOBZ-HMTLIYDFSA-N- Molecular formula
- C24H30N2O5S2
- Average molar mass
- 490.6 g/mol
Names & identifiers
- Preferred name
- 2-{[(3r)-4-(4-Toluenesulfonyl)thiomorpholine-3-carbonyl]amino}-3-methyl-butyric acid benzyl ester
- IUPAC
- benzyl 3-methyl-2-[[(3R)-4-(4-methylphenyl)sulfonylthiomorpholine-3-carbonyl]amino]butanoate
Names & synonyms
SCHEMBL5358254KCXJDWKNHHDOBZ-HMTLIYDFSA-N2-{[(3r)-4-(4-toluenesulfonyl)thiomorpholine-3-carbonyl]amino}-3-methyl-butyric acid benzyl ester
Database identifiers
- PubChem CID
- 69416079
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 753
Related reactions
1 records
Compound notes
Loading…