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English
S-Ethyl-N-{2-[(methylsulfanyl)methyl]-3-phenylpropanoyl}-L-cysteine
group of stereoisomers with the chemical formula C₁₆H₂₃NO₃S₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
341.11193559599997
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₃NO₃S₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCSCC(N=C(O)C(CSC)Cc1ccccc1)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCSC[C@H](NC(=O)C(CSC)Cc1ccccc1)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C16H23NO3S2/c1-3-22-11-14(16(19)20)17-15(18)13(10-21-2)9-12-7-5-4-6-8-12/h4-8,13-14H,3,9-11H2,1-2H3,(H,17,18)(H,19,20)/t13?,14-/m0/s1
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InChIKey
CPHDYCKDRZHLOT-KZUDCZAMSA-N
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CAS Registry Number
88389-23-5
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PubChem CID
13817410
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
55327043
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80550457
0 references
DSSTOX compound identifier
DTXCID20501241
0 references
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