(S)-2-amino-3-(tert-butyldisulfanyl)propanoic acid
Basic information
- Standard SMILES
CC(C)(C)SSC[C@@H](N)C(=O)O- InChIKey
TWMBHZTWEDJDRC-RXMQYKEDSA-N- Molecular formula
- C7H15NO2S2
- Average molar mass
- 209.3 g/mol
- Monoisotopic mass
- 209.05442107
Names & identifiers
- Preferred name
- (S)-2-amino-3-(tert-butyldisulfanyl)propanoic acid
- IUPAC
- (2S)-2-amino-3-(tert-butyldisulfanyl)propanoic acid
Names & synonyms
SCHEMBL12438549TWMBHZTWEDJDRC-RXMQYKEDSA-N(S)-2-amino-3-(tert-butyldisulfanyl)propanoic acid
Database identifiers
- PubChem CID
- 462948
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 156
Related reactions
2 records
Compound notes
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