N-(2-Mercapto-1-oxopropyl)-L-serine
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Basic information
- CAS
1313496-17-1- Standard SMILES
CC(S)C(=O)N[C@@H](CO)C(=O)O- InChIKey
NGCWQOJBMCFVRB-BKLSDQPFSA-N- Molecular formula
- C6H11NO4S
- Average molar mass
- 193.22 g/mol
- Monoisotopic mass
- 193.04087901
Names & identifiers
- Preferred name
- N-(2-Mercapto-1-oxopropyl)-L-serine
- IUPAC
- (2S)-3-hydroxy-2-(2-sulfanylpropanoylamino)propanoic acid
- English name
- N-(2-Mercapto-1-oxopropyl)-L-serine
- Molecular formula
- C6H11NO4S
- Molecular weight
- 193.22
Names & synonyms
1313496-17-1N-(2-Mercapto-1-oxopropyl)-L-serineN-(2-Sulfanylpropanoyl)-L-serine(2S)-3-Hydroxy-2-(2-mercaptopropanamido)propanoic acid(2S)-3-hydroxy-2-(2-sulfanylpropanoylamino)propanoic acidSCHEMBL6466988CHEMBL2158195DTXSID90693809DB-265693Ser-tioproninNGCWQOJBMCFVRB-BKLSDQPFSA-NL-Serine, N-(2-mercapto-1-oxopropyl)-
Database identifiers
- CAS
1313496-17-1- PubChem CID
- 53388515
- DTXSID
DTXSID90693809- ChEMBL
CHEMBL2158195
Properties
Computed structural propertiesFilling in
- XLogP
- -0.8
- Topological polar surface area
- 87.6 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 184
Chemistry & industry
Applications
UsesTiopronin serine analog.
UsesN-(2-Mercapto-1-oxopropyl)-L-serine is a serine analog of Tiopronin (T444780).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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