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(Q82924275)
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English
N-{[5-(2-Carboxyethyl)-3-hydroxy-2-methylpyridin-4-yl]methyl}phenylalanine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
358.1528718039999
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₉H₂₂N₂O₅
0 references
canonical SMILES
Cc1ncc(CCC(=O)O)c(CNC(Cc2ccccc2)C(=O)O)c1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC1=NC=C(C(=C1O)CN[C@@H](CC2=CC=CC=C2)C(=O)O)CCC(=O)O
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Identifiers
InChI
InChI=1S/C19H22N2O5/c1-12-18(24)15(14(10-20-12)7-8-17(22)23)11-21-16(19(25)26)9-13-5-3-2-4-6-13/h2-6,10,16,21,24H,7-9,11H2,1H3,(H,22,23)(H,25,26)/t16-/m0/s1
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InChIKey
VNHORGDDSBQGPU-INIZCTEOSA-N
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CAS Registry Number
23847-74-7
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PubChem CID
193031
1 reference
matched by identifier from
InChIKey
InChIKey
VNHORGDDSBQGPU-INIZCTEOSA-N
UniChem compound ID
42792038
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00946651
1 reference
matched by identifier from
InChIKey
InChIKey
VNHORGDDSBQGPU-INIZCTEOSA-N
DSSTOX compound identifier
DTXCID401374929
0 references
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