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

1 2D Structure

CAS 123715-02-6

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 Depositor-Supplied Synonyms

1. 123715-02-6

2. (s)-2,6-dimethyltyrosine

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

4. L-tyrosine, 2,6-dimethyl-

5. 2,6-dimethyltyrosine

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

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

8. Ak110939

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

10. Tyrosine, 2,6-dimethyl-

11. 2',6'-dimethyltyrosine

12. L-tyr(2,6-di-me)

13. Ac1l3y4d

14. Schembl38374

15. (s)-2',6'-dimethyltyrosine

16. Chembl180386

17. Ctk7i3474

18. Dtxsid80154070

19. Lsndlikcfhlfko-jtqlqieisa-n

20. Molport-000-000-894

21. Zinc6069971

22. An-357

23. Cd-898

24. Mfcd06659984

25. Sbb065148

26. Akos015890661

27. Cs-w000665

28. Mg-0721

29. Or70167

30. Ks-000027r5

31. Aj-55622

32. Sc-91566

33. Ab0076515

34. Ax8048603

35. Kb-166059

36. Ft-0652484

37. A13188

38. A57904

39. 715a026

40. I01-7126

41. (2s)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoic Acid

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 209.245 g/mol
Molecular Formula C11H15NO3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass209.105 g/mol
Monoisotopic Mass209.105 g/mol
Topological Polar Surface Area83.6 A^2
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
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