Basic information
- Standard SMILES
CCc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCN)C(=O)O)cc1- InChIKey
MTVWWSQBFXBFNZ-KRWDZBQOSA-N- Molecular formula
- C18H30N2O4S
- Average molar mass
- 370.5 g/mol
Names & identifiers
- Preferred name
- Nalpha-isobutyl-Nalpha-(4-ethylbenzenesulfonyl)-L-ysine
- IUPAC
- (2S)-6-amino-2-[(4-ethylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid
Names & synonyms
SCHEMBL6891480MTVWWSQBFXBFNZ-KRWDZBQOSA-NNalpha-isobutyl-Nalpha-(4-ethylbenzenesulfonyl)-L-ysine
Database identifiers
- PubChem CID
- 69929831
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 494
Related reactions
2 records
Compound notes
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