Basic information
- CAS
22728-88-7- Standard SMILES
COC(=O)[C@@H](N)CSCc1ccccc1- InChIKey
DELQRANKBWOLJQ-JTQLQIEISA-N- Molecular formula
- C11H15NO2S
- Average molar mass
- 225.31 g/mol
- Monoisotopic mass
- 225.08234989
Names & identifiers
- Preferred name
- S-benzyl-(L)-cysteine methyl ester
- IUPAC
- methyl (2R)-2-amino-3-benzylsulfanylpropanoate
Names & synonyms
S-benzyl-(L)-cysteine methyl ester22728-88-7CHEMBL4472715methyl (2R)-2-amino-3-benzylsulfanylpropanoateMethyl 2-amino-3-(benzylsulfanyl)propanoate #S-(Phenylmethyl)-L-cysteine methyl esters-benzylcysteine methyl esterMethyl S-benzyl-L-cysteinateS-benzyl-cysteine methyl esterSCHEMBL1839764DTXSID501358089S-Benzyl-L-cysteine, methyl ester
Show more names
BDBM50525455AKOS002683866
Database identifiers
- CAS
22728-88-7- PubChem CID
- 450313
- DTXSID
DTXSID501358089- ChEMBL
CHEMBL4472715- Nikkaji
- J264.770B
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 77.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 193
Related reactions
3 records
Compound notes
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