Basic information
- CAS
158861-44-0- Standard SMILES
COC(=O)[C@H](CCSC)NC[C@@H](N)Cc1ccccc1- InChIKey
KYUAQIGLLMVBRG-KBPBESRZSA-N- Molecular formula
- C15H24N2O2S
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.15584919
Names & identifiers
- Preferred name
- L-Methionine, N-(2-amino-3-phenylpropyl)-, methyl ester, (S)-
- IUPAC
- methyl (2S)-2-[[(2S)-2-amino-3-phenylpropyl]amino]-4-methylsulfanylbutanoate
Names & synonyms
SCHEMBL9555078DTXSID401181516L-Methionine, N-(2-amino-3-phenylpropyl)-, methyl ester, (S)-158861-44-0Methyl N-[(2S)-2-amino-3-phenylpropyl]-L-methioninate
Database identifiers
- CAS
158861-44-0- PubChem CID
- 9971815
- DTXSID
DTXSID401181516
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 89.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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