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English
N-[Ethoxy(phenyl)phosphoryl]-L-histidine
group of stereoisomers with the chemical formula C₁₄H₁₈N₃O₄P
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
323.103492686
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₁₈N₃O₄P
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCOP(=O)(NC(Cc1cnc[nH]1)C(=O)O)c1ccccc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCOP(=O)(N[C@@H](Cc1cnc[nH]1)C(=O)O)c1ccccc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C14H18N3O4P/c1-2-21-22(20,12-6-4-3-5-7-12)17-13(14(18)19)8-11-9-15-10-16-11/h3-7,9-10,13H,2,8H2,1H3,(H,15,16)(H,17,20)(H,18,19)/t13-,22?/m0/s1
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InChIKey
LJIUIJXOCWSKJS-JHAYDQECSA-N
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CAS Registry Number
918794-05-5
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PubChem CID
71426428
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
53337132
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10845186
0 references
DSSTOX compound identifier
DTXCID40795928
0 references
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