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(Q7118886)
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English
PEAQX
pair of isomers
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
453.008919374
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₁₇BrN₃O₅P
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(NC(c1cccc2[nH]c(=O)c(=O)[nH]c12)P(=O)(O)O)c1ccc(Br)cc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@H](NC(c1cccc2[nH]c(=O)c(=O)[nH]c12)P(=O)(O)O)c1ccc(Br)cc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C17H17BrN3O5P/c1-9(10-5-7-11(18)8-6-10)19-17(27(24,25)26)12-3-2-4-13-14(12)21-16(23)15(22)20-13/h2-9,17,19H,1H3,(H,20,22)(H,21,23)(H2,24,25,26)/t9-,17?/m0/s1
1 reference
reference URL
https://pubchem.ncbi.nlm.nih.gov/compound/9868551
retrieved
April 2018
InChIKey
XXZGNAZRWCBSBK-WFVOFKTRSA-N
0 references
PubChem CID
9868551
1 reference
imported from Wikimedia project
English Wikipedia
UniChem compound ID
398748
1 reference
stated in
UniChem
Probes And Drugs ID
PD101859
0 references
Freebase ID
/m/04grmt7
0 references
Microsoft Academic ID
2779076853
0 references
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PEAQX
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