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(Q82543433)
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English
3-[(2-Amino-2-carboxyethyl)sulfanyl]-5-hydroxy-L-tyrosine
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
316.0729072319999
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₆N₂O₆S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
NC(CSc1cc(CC(N)C(=O)O)cc(O)c1O)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
NC(CSc1cc(C[C@H](N)C(=O)O)cc(O)c1O)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C12H16N2O6S/c13-6(11(17)18)1-5-2-8(15)10(16)9(3-5)21-4-7(14)12(19)20/h2-3,6-7,15-16H,1,4,13-14H2,(H,17,18)(H,19,20)/t6-,7?/m0/s1
0 references
InChIKey
SXISMOAILJWTID-PKPIPKONSA-N
0 references
CAS Registry Number
25565-25-7
0 references
PubChem CID
23619593
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
64487960
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50635205
0 references
DSSTOX compound identifier
DTXCID30585956
0 references
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