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(Q72470004)
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English
(3S)-3-[[(1,1-Dimethylethoxy)carbonyl]amino]-5-fluoro-4-oxo-pentanoic acid methyl ester
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
263.116900896
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₁₈FNO₅
0 references
canonical SMILES
COC(=O)CC(N=C(O)OC(C)(C)C)C(=O)CF
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C11H18FNO5/c1-11(2,3)18-10(16)13-7(8(14)6-12)5-9(15)17-4/h7H,5-6H2,1-4H3,(H,13,16)
0 references
InChIKey
MXOOUCRHWJYCAL-UHFFFAOYSA-N
0 references
CAS Registry Number
187389-53-3
0 references
PubChem CID
16760348
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
MXOOUCRHWJYCAL-UHFFFAOYSA-N
UniChem compound ID
23333163
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50940205
1 reference
matched by identifier from
InChIKey
InChIKey
MXOOUCRHWJYCAL-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID501368678
0 references
Human Metabolome Database ID
HMDB0249331
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MXOOUCRHWJYCAL-UHFFFAOYSA-N
Probes And Drugs ID
PD101832
0 references
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