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English
N-(2-Hydroxypropyl)valine
group of stereoisomers with the chemical formula C₈H₁₇NO₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
175.120843404
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₈H₁₇NO₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(O)CNC(C(=O)O)C(C)C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(O)CN[C@H](C(=O)O)C(C)C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C8H17NO3/c1-5(2)7(8(11)12)9-4-6(3)10/h5-7,9-10H,4H2,1-3H3,(H,11,12)/t6?,7-/m0/s1
0 references
InChIKey
LQFKABMWUHITQU-MLWJPKLSSA-N
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CAS Registry Number
101834-32-6
0 references
PubChem CID
130204
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
27039226
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20906737
0 references
DSSTOX compound identifier
DTXCID501335833
0 references
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