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185679-34-9 | L-Tyrosine, N,N-dimethyl-O-[2-(5-methyl-2-phenyl-4-oxazolyl)ethyl]-
CAS No: 185679-34-9 Catalog No: AG0076PH MDL No:
Product Description
Catalog Number:
AG0076PH
Chemical Name:
L-Tyrosine, N,N-dimethyl-O-[2-(5-methyl-2-phenyl-4-oxazolyl)ethyl]-
CAS Number:
185679-34-9
Molecular Formula:
C23H26N2O4
Molecular Weight:
394.4635
IUPAC Name:
(2S)-2-(dimethylamino)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid
InChI:
InChI=1S/C23H26N2O4/c1-16-20(24-22(29-16)18-7-5-4-6-8-18)13-14-28-19-11-9-17(10-12-19)15-21(23(26)27)25(2)3/h4-12,21H,13-15H2,1-3H3,(H,26,27)/t21-/m0/s1
InChI Key:
ZIACYBMFSHANKX-NRFANRHFSA-N
SMILES:
CN([C@H](C(=O)O)Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1)C
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
394.189g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
394.471g/mol
Monoisotopic Mass:
394.189g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Synthesis and biological activity of L-tyrosine-based PPARgamma agonists with reduced molecular weight. | Bioorganic & medicinal chemistry letters 20011217 |
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