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1000998-59-3 | Glycine, N-[[3-[[2-(4-chlorophenyl)-5-methyl-4-oxazolyl]methoxy]phenyl]methyl]-N-(methoxycarbonyl)-
CAS No: 1000998-59-3 Catalog No: AG0000WV MDL No:
Product Description
Catalog Number:
AG0000WV
Chemical Name:
Glycine, N-[[3-[[2-(4-chlorophenyl)-5-methyl-4-oxazolyl]methoxy]phenyl]methyl]-N-(methoxycarbonyl)-
CAS Number:
1000998-59-3
Molecular Formula:
C22H21ClN2O6
Molecular Weight:
444.8649
IUPAC Name:
2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl-methoxycarbonylamino]acetic acid
InChI:
InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27)
InChI Key:
UJIBXDMNCMEJAY-UHFFFAOYSA-N
SMILES:
COC(=O)N(Cc1cccc(c1)OCc1nc(oc1C)c1ccc(cc1)Cl)CC(=O)O
UNII:
39TL5L7XDX
Properties
Complexity:
601
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.109g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
444.868g/mol
Monoisotopic Mass:
444.109g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Synthesis and structure-activity relationships of 2-aryl-4-oxazolylmethoxy benzylglycines and 2-aryl-4-thiazolylmethoxy benzylglycines as novel, potent PPARalpha selective activators- PPARalpha and PPARgamma selectivity modulation. | Bioorganic & medicinal chemistry letters 20100501 |
| Discovery of an oxybenzylglycine based peroxisome proliferator activated receptor alpha selective agonist 2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid (BMS-687453). | Journal of medicinal chemistry 20100408 |
| Biomarkers of drug-induced skeletal muscle injury in the rat: troponin I and myoglobin. | Toxicological sciences : an official journal of the Society of Toxicology 20091001 |
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