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    CAS 1149-26-4

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    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

    2D Structure

    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 Weight 251.28 g/mol
    Molecular Formula C13H17NO4
    XLogP31.4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count6
    Exact Mass251.11575802 g/mol
    Monoisotopic Mass251.11575802 g/mol
    Topological Polar Surface Area75.6 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity285
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1