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English
N~2~-(2-Chloropropanoyl)-L-glutamine
group of stereoisomers with the chemical formula C₈H₁₃ClN₂O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
236.056384576
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₈H₁₃ClN₂O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(Cl)C(O)=NC(CCC(=N)O)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(Cl)C(=O)N[C@@H](CCC(N)=O)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C8H13ClN2O4/c1-4(9)7(13)11-5(8(14)15)2-3-6(10)12/h4-5H,2-3H2,1H3,(H2,10,12)(H,11,13)(H,14,15)/t4?,5-/m0/s1
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InChIKey
JAKFXLPGGKWCLJ-AKGZTFGVSA-N
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CAS Registry Number
674778-83-7
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PubChem CID
71368222
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
55734519
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10791295
0 references
DSSTOX compound identifier
DTXCID40742038
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