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CAS 10009-20-8
PharmaCompass
  • Chemistry
CAS 10009-20-8
Also known as: 10009-20-8, H-lys(tfa)-oh, N6-(trifluoroacetyl)-l-lysine, N6-trifluoroacetyl-l-lysine, N6-trifluoroaccety-l-lysine, Epsilon-tfa-lysine
Molecular Formula
C8H13F3N2O3
Molecular Weight
242.198  g/mol
InChI Key
PZZHRSVBHRVIMI-YFKPBYRVSA-N

1 2D Structure

CAS 10009-20-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-2-amino-6-[(2,2,2-trifluoroacetyl)amino]hexanoic acid
2.1.2 InChI
InChI=1S/C8H13F3N2O3/c9-8(10,11)7(16)13-4-2-1-3-5(12)6(14)15/h5H,1-4,12H2,(H,13,16)(H,14,15)/t5-/m0/s1
2.1.3 InChI Key
PZZHRSVBHRVIMI-YFKPBYRVSA-N
2.1.4 Canonical SMILES
C(CCNC(=O)C(F)(F)F)CC(C(=O)O)N
2.1.5 Isomeric SMILES
C(CCNC(=O)C(F)(F)F)C[C@@H](C(=O)O)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 10009-20-8

2. H-lys(tfa)-oh

3. N6-(trifluoroacetyl)-l-lysine

4. N6-trifluoroacetyl-l-lysine

5. N6-trifluoroaccety-l-lysine

6. Epsilon-tfa-lysine

7. Nepsilon-trifluoroacetyl-l-lysine

8. L-lysine, N6-(trifluoroacetyl)-

9. N(6)-trifluoroacetyl-l-lysine

10. N-

11. A-trifluoroacetyl-l-lysine

12. Chebi:61064

13. N(6)-(trifluoroacetyl)-l-lysine

14. N(epsilon)-trifluoroacetyl-l-lysine

15. Sbb058284

16. Ak-41363

17. J-502413

18. (s)-2-amino-6-(2,2,2-trifluoroacetamido)hexanoic Acid

19. (2s)-2-amino-6-[(2,2,2-trifluoroacetyl)amino]hexanoic Acid

20. (2s)-2-amino-6-(2,2,2-trifluoroacetylamino)hexanoic Acid

21. C8h13f3n2o3

22. Lysine(tfa)-oh

23. H-lys(cf3co)-oh

24. Lysine, N6-(trifluoroacetyl)-, L-

25. H-l-lys(tfa)-oh

26. Epitope Id:150923

27. N1-trifluoroacetyl-l-lysine

28. Schembl875166

29. Jsp000057

30. Ctk3j5148

31. Dtxsid70142926

32. Molport-002-317-300

33. N-epsilon-trifluoroacetyl-l-lysine

34. Pzzhrsvbhrvimi-yfkpbyrvsa-n

35. Nepsilon -trifluoroacetyl-l-lysine

36. Act07152

37. Ebd47106

38. Ks-00000fb3

39. Zinc2384794

40. Zx-ap012231

41. Anw-14156

42. Pc1591

43. Akos015920404

44. Akos015924094

45. Aaa0001523

46. Ac-6228

47. Am81963

48. Fch3661839

49. Rp17572

50. (s)-2-amino-6-pivalamidohexanoic Acid

51. N6-(2,2,2-trifluoroacetyl)-l-lysine

52. Aj-35123

53. An-10221

54. As-12921

55. Bc677967

56. Br-41363

57. Cc-32256

58. Sc-09733

59. Potassium 3,6-dichloro-2-methoxybenzoate

60. Ab0004499

61. Ax8010712

62. Rt-002364

63. Bg01539180

64. Ft-0080237

65. Ft-0636611

66. St24030746

67. St51016163

68. N6-trifluoroacetyl-l-lysine (for Lisinopril)

69. M-1703

70. (s)-6-trifluoroacetylamino-2-aminohexanoic Acid

71. (2s)-2-amino-6-(trifluoroacetamido)hexanoic Acid

72. 009h208

73. C-14566

74. Nepsilon-trifluoroacetyl-l-lysine, >=96.0% (tlc)

75. Potassium 3,6-dichloro-2-methoxybenzoate; Potassium 3,6-dichloro-o-anisate

2.3 Create Date
2006-07-29
3 Chemical and Physical Properties
Molecular Weight 242.198 g/mol
Molecular Formula C8H13F3N2O3
XLogP3-1.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass242.088 g/mol
Monoisotopic Mass242.088 g/mol
Topological Polar Surface Area92.4 A^2
Heavy Atom Count16
Formal Charge0
Complexity255
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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