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(Q82805175)
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English
({[N-(2-Ethylhexanoyl)-5-oxidanidyl-5-oxidanylidene-D-norvalyl]oxy}methyl)benzene
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
362.19729657591
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₈NO₅⁻
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCC(CC)C(O)=NC(CCC(=O)[O-])C(=O)OCc1ccccc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCCC(CC)C(=O)N[C@H](CCC(=O)[O-])C(=O)OCc1ccccc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C20H29NO5/c1-3-5-11-16(4-2)19(24)21-17(12-13-18(22)23)20(25)26-14-15-9-7-6-8-10-15/h6-10,16-17H,3-5,11-14H2,1-2H3,(H,21,24)(H,22,23)/p-1/t16?,17-/m1/s1
0 references
InChIKey
XPZOMFRGZUCFMX-ZYMOGRSISA-M
0 references
CAS Registry Number
79335-18-5
0 references
PubChem CID
71401539
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
51632324
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90822576
0 references
DSSTOX compound identifier
DTXCID50773318
0 references
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