sodium (2R)-2-(3-amino-3-oxopropyl)-4-oxo-5-phenylpentanoic acid
Basic information
- CAS
104771-87-1- Standard SMILES
NC(=O)CC[C@H](CC(=O)Cc1ccccc1)C(=O)O.[Na+]- InChIKey
JTRMNNSXNAUAQN-RFVHGSKJSA-N- Molecular formula
- C14H17NNaO4+
- Average molar mass
- 286.28 g/mol
- Monoisotopic mass
- 286.10552731
Names & identifiers
- Preferred name
- sodium (2R)-2-(3-amino-3-oxopropyl)-4-oxo-5-phenylpentanoic acid
- IUPAC
- sodium (2R)-2-(3-amino-3-oxopropyl)-4-oxo-5-phenylpentanoic acid
Names & synonyms
NS00120881
Database identifiers
- CAS
104771-87-1- PubChem CID
- 3086512
- DTXSID
DTXSID60146716
Properties
Computed structural properties
- Topological polar surface area
- 97.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 1
- Complexity
- 334
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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