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26384-44-1 | L-Tyrosine, O-[4-hydroxy-3-(1-methylethyl)phenyl]-3,5-dimethyl-
CAS No: 26384-44-1 Catalog No: AG002SXR MDL No:
Product Description
Catalog Number:
AG002SXR
Chemical Name:
L-Tyrosine, O-[4-hydroxy-3-(1-methylethyl)phenyl]-3,5-dimethyl-
CAS Number:
26384-44-1
Molecular Formula:
C20H25NO4
Molecular Weight:
343.4168
IUPAC Name:
(2S)-2-amino-3-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]propanoic acid
InChI:
InChI=1S/C20H25NO4/c1-11(2)16-10-15(5-6-18(16)22)25-19-12(3)7-14(8-13(19)4)9-17(21)20(23)24/h5-8,10-11,17,22H,9,21H2,1-4H3,(H,23,24)/t17-/m0/s1
InChI Key:
QHHWMOKQVCJRPS-KRWDZBQOSA-N
SMILES:
OC(=O)[C@H](Cc1cc(C)c(c(c1)C)Oc1ccc(c(c1)C(C)C)O)N
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
343.178g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
343.423g/mol
Monoisotopic Mass:
343.178g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
92.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Structural determinants of selective thyromimetics. | Journal of medicinal chemistry 20030703 |
| Could a combined administration of dexamethasone and 3,5-dimethyl-3'-isopropyl-L-thyronine (DIMIT) be a more effective alternative to dexamethasone alone in the prevention of RDS? | European journal of obstetrics, gynecology, and reproductive biology 20011201 |
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