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2D Structure
Also known as: 123715-02-6, (s)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoic acid, (s)-2,6-dimethyltyrosine, L-tyrosine, 2,6-dimethyl-, (2s)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoic acid, 2,6-dimethyltyrosine
Molecular Formula
C11H15NO3
Molecular Weight
209.24  g/mol
InChI Key
LSNDLIKCFHLFKO-JTQLQIEISA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoic acid
2.1.2 InChI
InChI=1S/C11H15NO3/c1-6-3-8(13)4-7(2)9(6)5-10(12)11(14)15/h3-4,10,13H,5,12H2,1-2H3,(H,14,15)/t10-/m0/s1
2.1.3 InChI Key
LSNDLIKCFHLFKO-JTQLQIEISA-N
2.1.4 Canonical SMILES
CC1=CC(=CC(=C1CC(C(=O)O)N)C)O
2.1.5 Isomeric SMILES
CC1=CC(=CC(=C1C[C@@H](C(=O)O)N)C)O
2.2 Synonyms
2.2.1 MeSH Synonyms

1. 2',6'-dimethyltyrosine

2. 2,6-dimethyltyrosine

2.2.2 Depositor-Supplied Synonyms

1. 123715-02-6

2. (s)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoic Acid

3. (s)-2,6-dimethyltyrosine

4. L-tyrosine, 2,6-dimethyl-

5. (2s)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoic Acid

6. 2,6-dimethyltyrosine

7. L-2',6'-dimethyltyrosine

8. 2',6'-dimethyltyrosine

9. Tyrosine, 2,6-dimethyl-

10. (s)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionic Acid

11. L-tyr(2,6-di-me)

12. Schembl38374

13. Chembl180386

14. Dtxsid80154070

15. Amy37550

16. Zinc6069971

17. Mfcd06659984

18. Akos015890661

19. Cs-w000665

20. Hy-w000665

21. Mg-0721

22. 715a026

23. Q27459305

24. (s)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoicacid

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 209.24 g/mol
Molecular Formula C11H15NO3
XLogP3-1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass209.10519334 g/mol
Monoisotopic Mass209.10519334 g/mol
Topological Polar Surface Area83.6 Ų
Heavy Atom Count15
Formal Charge0
Complexity220
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1