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(Q82817036)
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English
N-{4-[(3,7-Dimethyloctan-3-yl)oxy]phenyl}-L-phenylalanine
group of stereoisomers with the chemical formula C₂₅H₃₅NO₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
397.26169397999996
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₅H₃₅NO₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCC(C)(CCCC(C)C)Oc1ccc(NC(Cc2ccccc2)C(=O)O)cc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCC(C)(CCCC(C)C)Oc1ccc(N[C@@H](Cc2ccccc2)C(=O)O)cc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C25H35NO3/c1-5-25(4,17-9-10-19(2)3)29-22-15-13-21(14-16-22)26-23(24(27)28)18-20-11-7-6-8-12-20/h6-8,11-16,19,23,26H,5,9-10,17-18H2,1-4H3,(H,27,28)/t23-,25?/m0/s1
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InChIKey
JOFBILCRNVHUOU-LFQPHHBNSA-N
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CAS Registry Number
87991-53-5
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PubChem CID
71411596
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
45045566
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00831199
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DSSTOX compound identifier
DTXCID80781941
0 references
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