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(Q82817043)
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English
O-Methyl-N-(4-{[2-(4-methylcyclohexyl)propan-2-yl]oxy}phenyl)-L-tyrosine
group of stereoisomers with the chemical formula C₂₆H₃₅NO₄
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
425.2566086
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₆H₃₅NO₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COc1ccc(CC(Nc2ccc(OC(C)(C)C3CCC(C)CC3)cc2)C(=O)O)cc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
COc1ccc(C[C@H](Nc2ccc(OC(C)(C)C3CCC(C)CC3)cc2)C(=O)O)cc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C26H35NO4/c1-18-5-9-20(10-6-18)26(2,3)31-23-15-11-21(12-16-23)27-24(25(28)29)17-19-7-13-22(30-4)14-8-19/h7-8,11-16,18,20,24,27H,5-6,9-10,17H2,1-4H3,(H,28,29)/t18?,20?,24-/m0/s1
0 references
InChIKey
ZOPDNMINSVKFAQ-IWRZYZMASA-N
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CAS Registry Number
87991-07-9
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PubChem CID
71411602
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
62348988
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50831205
0 references
DSSTOX compound identifier
DTXCID40781947
0 references
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