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(Q82908417)
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English
N-{1-Hydroxy-2-[(2-methylphenyl)methyl]-3-sulfanylpropylidene}methionine
group of stereoisomers with the chemical formula C₁₆H₂₃NO₃S₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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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
CSCCC(N=C(O)C(CS)Cc1ccccc1C)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CSCC[C@H](NC(=O)C(CS)Cc1ccccc1C)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C16H23NO3S2/c1-11-5-3-4-6-12(11)9-13(10-21)15(18)17-14(16(19)20)7-8-22-2/h3-6,13-14,21H,7-10H2,1-2H3,(H,17,18)(H,19,20)/t13?,14-/m0/s1
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InChIKey
FGXXIAHRYGHABD-KZUDCZAMSA-N
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CAS Registry Number
145775-14-0
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PubChem CID
126880
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
25278020
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90932689
0 references
DSSTOX compound identifier
DTXCID401361374
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Probes And Drugs ID
PD099648
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