Basic information
- CAS
124815-66-3- Standard SMILES
COC(=O)CNC(=O)[C@@H](CSC(C)=O)Cc1ccccc1- InChIKey
ZZQJPPJIRYFBFN-CYBMUJFWSA-N- Molecular formula
- C15H19NO4S
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.10347926
Names & identifiers
- Preferred name
- Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, methyl ester, (S)-
- IUPAC
- methyl 2-[[(2S)-2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetate
Names & synonyms
124815-66-3Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, methyl ester, (S)-(S)-N-(2-Acetylthiomethyl-1-oxo-3-phenylpropyl)glycine methyl esterRefChem:346421SCHEMBL10956150DTXSID20924936(2S)-2-[(Acetylsulfanyl)methyl]-N-(2-methoxy-2-oxoethyl)-3-phenylpropanimidic acid2-[(Acetylsulfanyl)methyl]-N-(2-methoxy-2-oxoethyl)-3-phenylpropanimidic acid
Database identifiers
- CAS
124815-66-3- PubChem CID
- 3079239
- DTXSID
DTXSID20924936
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 97.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 367
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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