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(Q82934196)
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English
3-({2-Carboxy-2-[(1-hydroxyethylidene)amino]ethyl}sulfanyl)butanoic acid
group of stereoisomers with the chemical formula C₉H₁₅NO₅S
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
249.06709358
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₉H₁₅NO₅S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(O)=NC(CSC(C)CC(=O)O)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(=O)N[C@@H](CSC(C)CC(=O)O)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C9H15NO5S/c1-5(3-8(12)13)16-4-7(9(14)15)10-6(2)11/h5,7H,3-4H2,1-2H3,(H,10,11)(H,12,13)(H,14,15)/t5?,7-/m0/s1
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InChIKey
NZLXIGKXJUXPAV-MSZQBOFLSA-N
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CAS Registry Number
33164-65-7
1 reference
InChIKey
NZLXIGKXJUXPAV-MSZQBOFLSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=33164-65-7
PubChem CID
186159
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
23723320
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60954792
0 references
DSSTOX compound identifier
DTXCID301382802
0 references
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