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Chemistry

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Also known as: 39537-23-0, Ala-gln, Alanylglutamine, Alanyl-glutamine, Alanyl glutamine, Dipeptamin

Molecular Formula

C₈H₁₅N₃O₄

Molecular Weight

217.22 g/mol

InChI Key

HJCMDXDYPOUFDY-WHFBIAKZSA-N

FDA UNII

U5JDO2770Z

Ala-Gln is a metabolite found in the aging mouse brain.

1 2D Structure

Alanyl Glutamine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-5-amino-2-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid

2.1.2 InChI

InChI=1S/C8H15N3O4/c1-4(9)7(13)11-5(8(14)15)2-3-6(10)12/h4-5H,2-3,9H2,1H3,(H2,10,12)(H,11,13)(H,14,15)/t4-,5-/m0/s1

2.1.3 InChI Key

HJCMDXDYPOUFDY-WHFBIAKZSA-N

2.1.4 Canonical SMILES

CC(C(=O)NC(CCC(=O)N)C(=O)O)N

2.1.5 Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)O)N

2.2 Other Identifiers

2.2.1 UNII

U5JDO2770Z

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Ala-gln

2. Alanyl-glutamine

3. Alanylglutamine

4. Alanylglutamine, (d-glu)-isomer

5. Dipeptiven

6. N(2)-l-alanyl-l-glutamine

2.3.2 Depositor-Supplied Synonyms

1. 39537-23-0

2. Ala-gln

3. Alanylglutamine

4. Alanyl-glutamine

5. Alanyl Glutamine

6. Dipeptamin

7. Glutamax

8. Sustamine

9. N(2)-l-alanyl-l-glutamine

10. L-glutamine, L-alanyl-

11. H-ala-gln-oh

12. L-ala-l-gln

13. Alanyl-glutamine Dipeptide

14. (2s)-5-amino-2-[[(2s)-2-aminopropanoyl]amino]-5-oxopentanoic Acid

15. L-glutamine, N2-l-alanyl-

16. U5jdo2770z

17. L-alanyl-l-glutamine Amino Acid

18. Fema No. 4712

19. L-alanyl-l-glutamine 1-hydrate

20. Dipeptiven

21. (s)-5-amino-2-((s)-2-aminopropanamido)-5-oxopentanoic Acid

22. 210541-56-3

23. L-alanyl-l-glutamin

24. Glutamax I

25. L-alany-l-glutamine

26. Dipeptide Alanyl-glutamine

27. Unii-u5jdo2770z

28. Aq Dipeptide

29. Glutamine-s

30. Mfcd00133046

31. A-q Dipeptide

32. (2s)-5-amino-2-{[(2s)-2-azaniumylpropanoyl]amino}-5-oxopentanoate

33. L-ala L-gln

34. N(2)-l-alanine L-glutamine Dipeptide

35. L-ala-l-gln-oh

36. Alanine Glutamine Dipeptide

37. Alanine-glutamine Dipeptide

38. Laevo-alanyl-laevo-glutamine

39. Schembl133887

40. Alanyl Glutamine [inci]

41. Chembl3707366

42. Chebi:73788

43. Dtxsid20192658

44. Glutamine, N2-l-alanyl-

45. Ala-gln, >=98% (tlc)

46. Alanyl Glutamine [who-dd]

47. N(2)-l-alanyl-l-glutamine,(s)

48. Zinc2504612

49. S5801

50. Akos010366801

51. Alanyl-glutamine; Aif; Ce0; Corrdec

52. Cs-w014818

53. Db11876

54. Hy-w014102

55. L-alanyl-l-glutamine [usp-rs]

56. As-12601

57. (s)-5-amino-2-((s)-2-aminopropanamido)

58. Db-030066

59. A1261

60. Am20100042

61. 537a230

62. Q27144111

63. (s)-5-amino-2-((s)-2-aminopropanamido)-5-oxopentanoicacid

64. L-alanyl-l-glutamine, United States Pharmacopeia (usp) Reference Standard

65. Ala-gln, 200 Mm, Solution, Sterile-filtered, Biotechnology Performance Certified

66. Ala-gln, Bioreagent, Suitable For Cell Culture, Suitable For Insect Cell Culture

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₅N₃O₄
Molecular Weight	217.22 g/mol
XLogP3	-4.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	217.10625597 g/mol
Monoisotopic Mass	217.10625597 g/mol
Topological Polar Surface Area	136 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	267
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1