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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 1149-26-4, Z-val-oh, N-cbz-l-valine, Cbz-l-valine, Z-l-valine, N-carbobenzoxy-l-valine

Molecular Formula

C₁₃H₁₇NO₄

Molecular Weight

251.28 g/mol

InChI Key

CANZBRDGRHNSGZ-NSHDSACASA-N

FDA UNII

B7E8KBA5JX

1 2D Structure

Z-Valine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid

2.1.2 InChI

InChI=1S/C13H17NO4/c1-9(2)11(12(15)16)14-13(17)18-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,17)(H,15,16)/t11-/m0/s1

2.1.3 InChI Key

CANZBRDGRHNSGZ-NSHDSACASA-N

2.1.4 Canonical SMILES

CC(C)C(C(=O)O)NC(=O)OCC1=CC=CC=C1

2.1.5 Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1

2.2 Other Identifiers

2.2.1 UNII

B7E8KBA5JX

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1149-26-4

2. Z-val-oh

3. N-cbz-l-valine

4. Cbz-l-valine

5. Z-l-valine

6. N-carbobenzoxy-l-valine

7. Z-l-val-oh

8. Carbobenzoxy-l-valine

9. Z-valine

10. Carbobenzyloxy-l-valine

11. Benzyloxycarbonyl-l-valine

12. N-benzyloxycarbonyl-l-valine

13. Cbz-val-oh

14. L-valine, N-[(phenylmethoxy)carbonyl]-

15. (2s)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic Acid

16. (2s)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoic Acid

17. N-(benzyloxycarbonyl)-l-valine

18. (s)-2-(((benzyloxy)carbonyl)amino)-3-methylbutanoic Acid

19. (2s)-2-{[(benzyloxy)carbonyl]amino-3-methylbutanoic Acid

20. Mfcd00008922

21. N-benzyloxycarbonylvaline

22. B7e8kba5jx

23. (s)-n-(benzyloxycarbonyl)valine

24. L-valine, N-((phenylmethoxy)carbonyl)-

25. Cbz-valine

26. N-cbz-valine

27. Cbz-val

28. Cbz-(l)-valine

29. (s)-n-cbz-valine

30. Cbz-(s)-valine

31. N-cbz-l -valine

32. N-cbz-val-oh

33. 2-(benzyloxycarbonylamino)-3-methylbutanoic Acid

34. Carbobenzoxy-(s)-valine

35. Z-(l)-val-oh

36. Schembl220569

37. Carbobenzyloxy-l-valine, 99%

38. N-(benzyioxycarbonyl)-l-valine

39. ((benzyloxy)carbonyl)-l-valine

40. L-valine, N-cbz Protected

41. N-[(benzyloxy)carbonyl]-l-valine

42. Zinc135711

43. Act05791

44. Str06192

45. Akos010371619

46. Akos015924215

47. Ac-7044

48. Ccg-256518

49. Cs-w009469

50. Ac-24056

51. As-12745

52. Am20060476

53. M03071

54. P16425

55. 149v264

56. (s)-2-benzyloxycarbonylamino-3-methyl-butyric Acid

57. J-300300

58. J-506251

59. N-alpha-benzyloxycarbonyl-l-valine (cbz-l-val-oh)

60. Q-101854

61. Q63392261

62. 2-(s)-[(benzyloxycarbonyl)amino]-3-methylbutyric Acid

63. (s)-2-(benzyloxycarbonylamino)-3-methylbutanoic Acid

64. (2s)-2-((benzyloxycarbonyl)amino)-3-methylbutanoic Acid

2.4 Create Date

2005-07-08

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₇NO₄
Molecular Weight	251.28 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	251.11575802 g/mol
Monoisotopic Mass	251.11575802 g/mol
Topological Polar Surface Area	75.6 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	285
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