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English
(r)-n-boc-3-(3-pyridyl)-beta-alanine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
266.126657056
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(S)-N-Boc-3-(3-pyridyl)-beta-alanine
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₃H₁₈N₂O₄
0 references
canonical SMILES
CC(C)(C)OC(=O)NC(CC(=O)O)c1cccnc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C)(C)OC(=O)N[C@H](CC(=O)O)C1=CN=CC=C1
0 references
Identifiers
InChI
InChI=1S/C13H18N2O4/c1-13(2,3)19-12(18)15-10(7-11(16)17)9-5-4-6-14-8-9/h4-6,8,10H,7H2,1-3H3,(H,15,18)(H,16,17)/t10-/m1/s1
0 references
InChIKey
GQWRNLFTLLZYBJ-SNVBAGLBSA-N
0 references
CAS Registry Number
500788-96-5
1 reference
stated in
CAS Common Chemistry
retrieved
7 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=500788-96-5
InChIKey
GQWRNLFTLLZYBJ-SNVBAGLBSA-N
PubChem CID
7023311
1 reference
matched by identifier from
InChIKey
InChIKey
GQWRNLFTLLZYBJ-SNVBAGLBSA-N
UniChem compound ID
23411534
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90427489
1 reference
matched by identifier from
InChIKey
InChIKey
GQWRNLFTLLZYBJ-SNVBAGLBSA-N
DSSTOX compound identifier
DTXCID10378323
0 references
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