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    CAS 1738-76-7

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 1738-76-7, H-gly-obzl.tosoh, H-gly-obzl p-tosylate, Glycine benzyl ester p-toluenesulfonate, Glycine benzyl ester p-toluenesulfonate salt, 114342-15-3
    Molecular Formula
    C16H19NO5S
    Molecular Weight
    337.4  g/mol
    InChI Key
    WJKJXKRHMUXQSL-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    benzyl 2-aminoacetate;4-methylbenzenesulfonic acid
    2.1.2 InChI
    InChI=1S/C9H11NO2.C7H8O3S/c10-6-9(11)12-7-8-4-2-1-3-5-8;1-6-2-4-7(5-3-6)11(8,9)10/h1-5H,6-7,10H2;2-5H,1H3,(H,8,9,10)
    2.1.3 InChI Key
    WJKJXKRHMUXQSL-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)CN
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1738-76-7

    2. H-gly-obzl.tosoh

    3. H-gly-obzl P-tosylate

    4. Glycine Benzyl Ester P-toluenesulfonate

    5. Glycine Benzyl Ester P-toluenesulfonate Salt

    6. 114342-15-3

    7. Glycine Benzyl Ester Tosylate

    8. Aminoacetic Acid Benzyl Ester Toluene-4-sulfonic Acid Salt

    9. Glycine Benzyl Ester 4-toluenesulfonate

    10. H-gly-obzlp-tosylate

    11. H-gly-obzl.tos-oh

    12. Mfcd00035425

    13. Benzyl 2-aminoacetate;4-methylbenzenesulfonic Acid

    14. Benzyl 2-aminoacetate 4-methylbenzenesulfonate

    15. 4-methylbenzene-1-sulfonic Acid; Benzyl 2-aminoacetate

    16. Glycine Benzyl Ester P-tosylate

    17. Glycine Benzyl Ester, P-toluenesulfonate

    18. 4-methylbenzenesulfonate;(2-oxo-2-phenylmethoxyethyl)azanium

    19. Benzyl Glycinate P-toluenesulfonate

    20. Einecs 217-094-6

    21. Gly-obzl Tosoh

    22. Gly-obzl.tosoh

    23. H-gly-obzl. Tos

    24. Benzyl Glycinate P-toluenesulfonate Salt

    25. Gly-obzl Tos

    26. Schembl57630

    27. Dtxsid10169657

    28. Glycine, Phenylmethyl Ester, 4-methylbenzenesulfonate (1:1)

    29. O-benzylglycine Toluene-p-sulfonate

    30. Act07362

    31. Bcp22630

    32. Aminoacetic Acid Benzyl Ester Tosylate

    33. Akos001047309

    34. Glycine Benzyl Ester.p-toluenesulfonate

    35. Ac-8560

    36. Am81794

    37. Cs-w011916

    38. Glycine-benzyl Ester 4-toluenesulfonate

    39. Hy-w011200

    40. Glycine Benzyl Ester P-toluene-sulfonate

    41. Glycine Benzyl Ester P-toluenesulphonate

    42. Ac-14338

    43. As-12127

    44. Sy038933

    45. O-benzylglycine P-toluenesulfonic Acid Salt

    46. Benzyl Aminoacetate 4-methylbenzenesulfonate

    47. Db-043961

    48. Methyl4-chloro-3,5-dinitrobenzoate

    49. B0266

    50. Ft-0626766

    51. Ft-0687345

    52. Glycine Benzyl Ester 4-toluenesulfonate Salt

    53. M03020

    54. Glycine Benzyl Ester P-toluenesulfonic Acid Salt

    55. Glycine Benzyl Ester-p-toluenesulfonic Acid Salt

    56. Glycine Benzylester P-toluene Sulfonic Acid Salt

    57. 342g153

    58. A811577

    59. A851080

    60. J-010948

    61. J-300141

    62. Q-101817

    63. L-glycine Benzyl Ester P-toluenesulfonate Salt

    64. Z56904671

    65. F1967-6724

    66. Amino-acetic Acid Benzyl Ester Toluene-4-sulfonic Acid Salt

    67. Glycine Benzyl Ester P-toluenesulfonate Salt, >=99.0% (t)

    68. Benzyl 2-aminoacetate; 4-methylbenzenesulfonic Acid;h-gly-obzl.tosoh

    2.3 Create Date
    2006-04-29
    3 Chemical and Physical Properties
    Molecular Weight 337.4 g/mol
    Molecular Formula C16H19NO5S
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count5
    Exact Mass337.09839388 g/mol
    Monoisotopic Mass337.09839388 g/mol
    Topological Polar Surface Area115 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity348
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2