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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 13115-71-4, Glycylglutamine, Gly-gln, Glycyl-glutamine, (s)-5-amino-2-(2-aminoacetamido)-5-oxopentanoic acid, L-glutamine, glycyl-

Molecular Formula

C₇H₁₃N₃O₄

Molecular Weight

203.20 g/mol

InChI Key

PNMUAGGSDZXTHX-BYPYZUCNSA-N

FDA UNII

H7125Z98HT

1 2D Structure

Glycyl-L-Glutamine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C7H13N3O4/c8-3-6(12)10-4(7(13)14)1-2-5(9)11/h4H,1-3,8H2,(H2,9,11)(H,10,12)(H,13,14)/t4-/m0/s1

2.1.3 InChI Key

PNMUAGGSDZXTHX-BYPYZUCNSA-N

2.1.4 Canonical SMILES

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

2.1.5 Isomeric SMILES

C(CC(=O)N)[C@@H](C(=O)O)NC(=O)CN

2.2 Other Identifiers

2.2.1 UNII

H7125Z98HT

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Gly-gln

2. Glycylglutamine

2.3.2 Depositor-Supplied Synonyms

1. 13115-71-4

2. Glycylglutamine

3. Gly-gln

4. Glycyl-glutamine

5. (s)-5-amino-2-(2-aminoacetamido)-5-oxopentanoic Acid

6. L-glutamine, Glycyl-

7. Chembl330038

8. Chebi:73898

9. H7125z98ht

10. H-gly-gln-oh

11. L-glutamine, N2-glycyl-

12. Unii-h7125z98ht

13. Glycyl Glutamine

14. Gly-l-gln

15. Gly-l-gln-oh

16. Ec 700-144-0

17. Schembl150160

18. Glycylglutamine [who-dd]

19. Pnmuaggsdzxthx-bypyzucnsa-

20. (2s)-5-amino-2-((aminoacetyl)amino)-5-oxopentanoic Acid

21. Dtxsid20156917

22. (2s)-5-amino-2-[(2-aminoacetyl)amino]-5-oxopentanoic Acid

23. Gq

24. Zinc2555108

25. Glycyl-l-glutamine [usp-rs]

26. Bdbm50407463

27. Mfcd00077124

28. Akos010405991

29. Akos015855062

30. Glycyl-glutamine; Aif; Ce0; Corrdec

31. Ds-13405

32. Hy-117541

33. Cs-0066415

34. G0251

35. D94472

36. 115g714

37. (s)-5-amino-2-(2-aminoacetamido)-5-oxopentanoicacid

38. 5-amino-2-[(2-aminoacetyl)amino]-5-oxopentanoic Acid

39. Q27144223

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₃N₃O₄
Molecular Weight	203.20 g/mol
XLogP3	-4.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	203.09060590 g/mol
Monoisotopic Mass	203.09060590 g/mol
Topological Polar Surface Area	136 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	241
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1