S-benzyl-(L)-cysteine methyl ester

HCID 450313

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

Related reactions

3 records

Compound notes

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