Basic information
- Standard SMILES
CCS(=O)(=O)N(c1ccncc1)[C@H](C(=O)OCc1ccccc1)C(C)C- InChIKey
SQAFSVDXXDZMRW-SFHVURJKSA-N- Molecular formula
- C19H24N2O4S
- Average molar mass
- 376.5 g/mol
Names & identifiers
- Preferred name
- 4-Pyridyl-ethanesulfonyl-valine benzyl ester
- IUPAC
- benzyl (2S)-2-[ethylsulfonyl(pyridin-4-yl)amino]-3-methylbutanoate
Names & synonyms
SCHEMBL7336573SQAFSVDXXDZMRW-SFHVURJKSA-N4-pyridyl-ethanesulfonyl-valine benzyl ester
Database identifiers
- PubChem CID
- 70058624
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 532
Related reactions
7 records
Compound notes
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