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(Q82466991)
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English
N-(1-Benzyl-1H-pyrazol-5-yl)-2-methylalanine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
259.3042
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₁₇N₃O₂
0 references
canonical SMILES
CC(C)(C(=O)O)NC1=CC=NN1CC2=CC=CC=C2
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Identifiers
InChI
InChI=1S/C14H17N3O2/c1-14(2,13(18)19)16-12-8-9-15-17(12)10-11-6-4-3-5-7-11/h3-9,16H,10H2,1-2H3,(H,18,19)
0 references
InChIKey
IZEJLUVTWHHDJR-UHFFFAOYSA-N
0 references
CAS Registry Number
135098-47-4
0 references
PubChem CID
15703967
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
64990026
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70577072
0 references
DSSTOX compound identifier
DTXCID00527843
0 references
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