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(Q82885764)
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English
2-[(Chloroacetyl)(hydroxy)amino]-N-{1-hydroxy-1-[(2-hydroxy-2-iminoethyl)imino]propan-2-yl}-3-methylpentanimidic acid
group of stereoisomers with the chemical formula C₁₃H₂₃ClN₄O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
350.135697516
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₂₃ClN₄O₅
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCC(C)C(C(O)=NC(C)C(O)=NCC(=N)O)N(O)C(=O)CCl
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCC(C)[C@@H](C(=O)N[C@@H](C)C(=O)NCC(N)=O)N(O)C(=O)CCl
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C13H23ClN4O5/c1-4-7(2)11(18(23)10(20)5-14)13(22)17-8(3)12(21)16-6-9(15)19/h7-8,11,23H,4-6H2,1-3H3,(H2,15,19)(H,16,21)(H,17,22)/t7?,8-,11-/m0/s1
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InChIKey
VQBDWASJNDNQGF-ZEMFGHSESA-N
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CAS Registry Number
95602-96-3
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PubChem CID
5486945
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
42508883
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80914914
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DSSTOX compound identifier
DTXCID101343898
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