Valine, N-benzoyl-3-mercaptothio-
Basic information
- CAS
91641-20-2- Standard SMILES
CC(C)(SS)C(NC(=O)c1ccccc1)C(=O)O- InChIKey
OITWCAOQJMFLST-UHFFFAOYSA-N- Molecular formula
- C12H15NO3S2
- Average molar mass
- 285.4 g/mol
- Monoisotopic mass
- 285.04933569
Names & identifiers
- Preferred name
- Valine, N-benzoyl-3-mercaptothio-
- IUPAC
- 2-benzamido-3-(disulfanyl)-3-methylbutanoic acid
Names & synonyms
N-Benzoyl-3-mercaptothiovalineValine, N-benzoyl-3-mercaptothio-alpha-Benzolyamino-beta-mercaptoisovaleric-thiol acidButyric acid, 2-benzamido-3-mercapto-3-methylthio-91641-20-2RefChem:388325DTXSID309196163-Disulfanyl-N-[hydroxy(phenyl)methylidene]valine
Database identifiers
- CAS
91641-20-2- PubChem CID
- 3021850
- DTXSID
DTXSID30919616
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 314
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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