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English
3-[(2-Amino-2-carboxyethyl)sulfanyl]-5-methoxy-L-tyrosine
group of stereoisomers with the chemical formula C₁₃H₁₈N₂O₆S
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
330.0885572959999
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₈N₂O₆S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COc1cc(CC(N)C(=O)O)cc(SCC(N)C(=O)O)c1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
COc1cc(C[C@H](N)C(=O)O)cc(SCC(N)C(=O)O)c1O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C13H18N2O6S/c1-21-9-3-6(2-7(14)12(17)18)4-10(11(9)16)22-5-8(15)13(19)20/h3-4,7-8,16H,2,5,14-15H2,1H3,(H,17,18)(H,19,20)/t7-,8?/m0/s1
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InChIKey
DECNJPHCJKBFLX-JAMMHHFISA-N
0 references
CAS Registry Number
63676-41-5
0 references
PubChem CID
71372273
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
46622685
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40795160
0 references
DSSTOX compound identifier
DTXCID40745903
0 references
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