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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 4320-30-3, L-arginine l-glutamate, (s)-2-amino-5-guanidinopentanoic acid compound with (s)-2-aminopentanedioic acid (1:1), L-arginine-l-glutamate, L-arginine l-glutamate salt, Modumate

Molecular Formula

C₁₁H₂₃N₅O₆

Molecular Weight

321.33 g/mol

InChI Key

RVEWUBJVAHOGKA-WOYAITHZSA-N

FDA UNII

TU1X77K34Q

1 2D Structure

Arginine Glutamate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-aminopentanedioic acid

2.1.2 InChI

InChI=1S/C6H14N4O2.C5H9NO4/c7-4(5(11)12)2-1-3-10-6(8)9;6-3(5(9)10)1-2-4(7)8/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3H,1-2,6H2,(H,7,8)(H,9,10)/t4-;3-/m00/s1

2.1.3 InChI Key

RVEWUBJVAHOGKA-WOYAITHZSA-N

2.1.4 Canonical SMILES

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

2.1.5 Isomeric SMILES

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

2.2 Other Identifiers

2.2.1 UNII

TU1X77K34Q

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Arg-glu

2. Arginylglutamate

2.3.2 Depositor-Supplied Synonyms

1. 4320-30-3

2. L-arginine L-glutamate

3. (s)-2-amino-5-guanidinopentanoic Acid Compound With (s)-2-aminopentanedioic Acid (1:1)

4. L-arginine-l-glutamate

5. L-arginine L-glutamate Salt

6. Modumate

7. L-argininel-glutamate

8. Nsc 122009

9. Nsc-122009

10. L-arginine L-glutamate (1:1)

11. Tu1x77k34q

12. L-arginine L-glutamate Crystalline

13. L-arginine (l-glutamate)

14. Arginine Glutamate (usan)

15. L-arginine Compound With L-glutamic Acid (1:1)

16. Arginine Glutamate [usan]

17. L-arginine Glutamate

18. L-glutamic Acid, Compd. With L-arginine

19. L-glutamic Acid Compd. With L-arginine (1:1)

20. L-arginine, L-glutamate

21. Glutamic Acid, L-, Compd. With L-arginine (1:1)

22. Unii-tu1x77k34q

23. Mfcd00035566

24. 4795-57-7

25. Modumate (tn)

26. Einecs 224-350-0

27. L-arginin-l-glutamat

28. L-glutamic Acid, Cpd With L-arginine (1:1)

29. Arginine Glutamate [usan:inn:ban:jan]

30. Schembl424415

31. L-arginine L-glutamate Hydrate

32. Arginine Glutamate [mi]

33. Chembl2104514

34. Dtxsid3030002

35. Chebi:31234

36. Hy-n0455b

37. Arginine Glutamate [inci]

38. S(+)-2-amino-5-guanidinopentanoic Acid L-glutamate Salt

39. (2s)-2-amino-5-(diaminomethylideneamino)pentanoic Acid;(2s)-2-aminopentanedioic Acid

40. Arginine Glutamate [mart.]

41. Amy25305

42. Arginine Glutamate [who-dd]

43. Ac8019

44. Akos015907741

45. Db13207

46. L-arginine - L-glutamic Acid (1:1)

47. Nsc 164937

48. As-13186

49. L-glutamic Acid, Compd. With L-arginine (1:1)other Ca Index Names:l-arginine, L-glutamate (1:1)

50. Cs-0013325

51. L-arginine L-glutamate Hydrate [jan]

52. D02397

53. A826219

54. Q288119

55. Q-100477

56. Z1273056830

57. (2s)-2-amino-5-carbamimidamidopentanoic Acid; (2s)-2-aminopentanedioic Acid

58. (s)-2-amino-5-guanidinopentanoic Acid Compound With (s)-2-aminopentanedioic Acid

59. (2s)-2-amino-5-guanidino-pentanoic Acid; (2s)-2-aminopentanedioic Acid;l-arginine L-glutamate

60. (2s)-2-aminopentanedioic Acid Compound With (2s)-2-amino-5-{[amino(imino)methyl]amino}pentanoic Acid (1:1)

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₂₃N₅O₆
Molecular Weight	321.33 g/mol
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	9
Exact Mass	321.16483347 g/mol
Monoisotopic Mass	321.16483347 g/mol
Topological Polar Surface Area	228 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	321
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	2