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(Q82828154)
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English
Diethyl N-(4-cyanobutyl)-N-(2-ethoxy-2-oxoethyl)-L-aspartate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
356.19473661599994
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₇H₂₈N₂O₆
0 references
canonical SMILES
CCOC(=O)CC(C(=O)OCC)N(CCCCC#N)CC(=O)OCC
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCOC(=O)C[C@@H](C(=O)OCC)N(CCCCC#N)CC(=O)OCC
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Identifiers
InChI
InChI=1S/C17H28N2O6/c1-4-23-15(20)12-14(17(22)25-6-3)19(11-9-7-8-10-18)13-16(21)24-5-2/h14H,4-9,11-13H2,1-3H3/t14-/m0/s1
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InChIKey
WQHWJJUMFKULIU-AWEZNQCLSA-N
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CAS Registry Number
820960-75-6
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PubChem CID
71420266
1 reference
matched by identifier from
InChIKey
InChIKey
WQHWJJUMFKULIU-AWEZNQCLSA-N
UniChem compound ID
60735721
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10839469
1 reference
matched by identifier from
InChIKey
InChIKey
WQHWJJUMFKULIU-AWEZNQCLSA-N
DSSTOX compound identifier
DTXCID40790211
0 references
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