2-(3-Aminopropanoylamino)-3-(3H-Imidazol-4-Yl)Propanoic Acid

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2-(3-Aminopropanoylamino)-3-(3H-Imidazol-4-Yl)Propanoic Acid

Also known as: L-carnosine, 305-84-0, Beta-alanyl-l-histidine, Ignotine, Karnozin, Karnozzn

Molecular Formula

C₉H₁₄N₄O₃

Molecular Weight

226.23 g/mol

InChI Key

CQOVPNPJLQNMDC-ZETCQYMHSA-N

FDA UNII

8HO6PVN24W

A naturally occurring dipeptide neuropeptide found in muscles.

1 2D Structure

2-(3-Aminopropanoylamino)-3-(3H-Imidazol-4-Yl)Propanoic Acid

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid

2.1.2 InChI

InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1

2.1.3 InChI Key

CQOVPNPJLQNMDC-ZETCQYMHSA-N

2.1.4 Canonical SMILES

C1=C(NC=N1)CC(C(=O)O)NC(=O)CCN

2.1.5 Isomeric SMILES

C1=C(NC=N1)C[C@@H](C(=O)O)NC(=O)CCN

2.2 Other Identifiers

2.2.1 UNII

8HO6PVN24W

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Beta Alanylhistidine

2. Beta-alanylhistidine

3. Carnosine Hydrochloride

4. Carnosine, (d-his)-isomer

5. Hydrochloride, Carnosine

6. L Carnosine

7. L-carnosine

2.3.2 Depositor-Supplied Synonyms

1. L-carnosine

2. 305-84-0

3. Beta-alanyl-l-histidine

4. Ignotine

5. Karnozin

6. Karnozzn

7. N-2-m

8. L-histidine, Beta-alanyl-

9. Polaprezinc

10. (3-aminopropanoyl)-l-histidine

11. (2s)-2-(3-aminopropanamido)-3-(1h-imidazol-4-yl)propanoic Acid

12. Chebi:15727

13. Nalpha-(beta-alanyl)-l-histidine

14. .beta.-alanyl-l-histidine

15. Nsc 524045

16. Brn 0087671

17. 8ho6pvn24w

18. L-histidine, N-beta-alanyl-

19. Beta-alanylhistidine

20. L-histidine, Beta-alanyl-, Homopolymer

21. Z 103

22. Z-103

23. N-beta-alanyl-l-histidine

24. L-ignotine

25. Mfcd00005207

26. (2~{s})-2-(3-azanylpropanoylamino)-3-(1~{h}-imidazol-4-yl)propanoic Acid

27. 1370422-07-3

28. Unii-8ho6pvn24w

29. L-histidine, N-.beta.-alanyl-

30. Sevitin

31. Betaala-his

32. B-alanylhistidine

33. Nsc-524045

34. Einecs 206-169-9

35. B-alanyl-l-histidine

36. Beta-alanyl-l-histidin

37. .beta.-alanylhistidine

38. Spectrum_001178

39. N-b-alanyl-l-histidine

40. Specplus_000374

41. Carnosine [mi]

42. Carnosine [inci]

43. Spectrum2_000454

44. Spectrum3_001212

45. Spectrum4_001673

46. Spectrum5_000605

47. Carnosine [vandf]

48. 3-aminopropionyl-histidine

49. Bmse000246

50. Bmse001002

51. C00386

52. Carnosine [who-dd]

53. N-(b-alanyl)-l-histidine

54. Schembl33769

55. Bspbio_002624

56. Kbiogr_002225

57. Kbioss_001658

58. 4-25-00-04381 (beilstein Handbook Reference)

59. Divk1c_006470

60. Spectrum1500944

61. N-(3-aminopropanoyl)histidine

62. Spbio_000528

63. Chembl242948

64. Gtpl4559

65. Kbio1_001414

66. Kbio2_001658

67. Kbio2_004226

68. Kbio2_006794

69. Kbio3_002124

70. Dtxsid80879594

71. L-carnosine, ~99%, Crystalline

72. (2s)-2-(3-aminopropanoylamino)-3-imidazol-4-ylpropanoic Acid

73. Tnp00340

74. Zinc2040854

75. N(alpha)-(beta-alanyl)-l-histidine

76. (2s)-2-(3-aminopropanoylamino)-3-(1h-imidazol-5-yl)propanoic Acid

77. Bdbm50485554

78. Ccg-38696

79. Stl466172

80. Akos010421481

81. Akos015963345

82. Cs-w014210

83. Db11695

84. Hy-w013494

85. Sdccgmls-0066726.p001

86. Ncgc00017390-01

87. Ncgc00017390-02

88. Ncgc00142487-01

89. Ac-17084

90. Ac-19690

91. Ac-31940

92. As-12570

93. A0222

94. L-carnosine, Vetec(tm) Reagent Grade, 98%

95. S5226

96. H11980

97. 305c840

98. Q413822

99. Sr-05000002473

100. Sr-05000002473-1

101. (2s)-2-(3-aminopropanamido)-3-(1h-imidazol-5-yl)propanoic Acid

102. (s)-2-(3-aminopropanamido)-3-(1h-imidazol-4-yl)propanoic Acid

103. (s)-2-(3-aminopropanamido)-3-(1h-imidazol-5-yl)propanoic Acid

104. 8v0

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₄N₄O₃
Molecular Weight	226.23 g/mol
XLogP3	-4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	226.10659032 g/mol
Monoisotopic Mass	226.10659032 g/mol
Topological Polar Surface Area	121 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	259
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