N-[(2S)-1-amino-1-oxopentan-2-yl]-2-sulfanylbenzamide
Basic information
- CAS
824938-53-6- Standard SMILES
CCC[C@H](NC(=O)c1ccccc1S)C(N)=O- InChIKey
PEQFPKUTSHVCDC-VIFPVBQESA-N- Molecular formula
- C12H16N2O2S
- Average molar mass
- 252.33 g/mol
- Monoisotopic mass
- 252.09324893
Names & identifiers
- Preferred name
- N-[(2S)-1-amino-1-oxopentan-2-yl]-2-sulfanylbenzamide
- IUPAC
- N-[(2S)-1-amino-1-oxopentan-2-yl]-2-sulfanylbenzamide
Names & synonyms
824938-53-6N-[(2S)-1-amino-1-oxopentan-2-yl]-2-sulfanylbenzamideDTXSID50639809N-(2-Mercaptobenzoyl)-L-norvalineNSC727510NSC-727510
Database identifiers
- CAS
824938-53-6- PubChem CID
- 24203293
- DTXSID
DTXSID50639809
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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