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English
N-(1-Hydroxy-2-sulfanylpropylidene)phenylalanine
group of stereoisomers with the chemical formula C₁₂H₁₅NO₃S
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
253.07726434
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₅NO₃S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(S)C(O)=NC(Cc1ccccc1)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(S)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C12H15NO3S/c1-8(17)11(14)13-10(12(15)16)7-9-5-3-2-4-6-9/h2-6,8,10,17H,7H2,1H3,(H,13,14)(H,15,16)/t8?,10-/m0/s1
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InChIKey
BXXQVYQHHJUMOQ-HTLJXXAVSA-N
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CAS Registry Number
57547-00-9
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PubChem CID
151777
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
25665142
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60973120
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DSSTOX compound identifier
DTXCID501400577
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