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    Technical details about (2S)-2-Amino-4-Oxo-4-Phenylmethoxybutanoic Acid, learn more about the structure, uses, toxicity, action, side effects and more

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    (2S)-2-Amino-4-Oxo-4-Phenylmethoxybutanoic Acid

    PharmaCompass

    Symbiotec: Global API manufacturer, specializing in Cortico-Steroids & Steroid-Hormone APIs.

    Metrochem has been delivering customized volume & quality products to customers across the world, taking utmost care of their needs.

    2D Structure
    1. Also known as: 2177-63-1, L-aspartic acid 4-benzyl ester, L-aspartic acid beta-benzyl ester, 4-benzyl l-aspartate, Beta-benzyl l-aspartate, (2s)-2-amino-4-oxo-4-phenylmethoxybutanoic acid
    Molecular Formula
    C11H13NO4
    Molecular Weight
    223.22  g/mol
    InChI Key
    VGALFAWDSNRXJK-VIFPVBQESA-N
    FDA UNII
    ZJ9URQ9GF6
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-2-amino-4-oxo-4-phenylmethoxybutanoic acid
    2.1.2 InChI
    InChI=1S/C11H13NO4/c12-9(11(14)15)6-10(13)16-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,14,15)/t9-/m0/s1
    2.1.3 InChI Key
    VGALFAWDSNRXJK-VIFPVBQESA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)COC(=O)CC(C(=O)O)N
    2.1.5 Isomeric SMILES
    C1=CC=C(C=C1)COC(=O)C[C@@H](C(=O)O)N
    2.2 Other Identifiers
    2.2.1 UNII
    ZJ9URQ9GF6
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Pbb-asp

    2. Poly-beta-benzyl-aspartate

    3. Poly-beta-benzyl-l-aspartate

    2.3.2 Depositor-Supplied Synonyms

    1. 2177-63-1

    2. L-aspartic Acid 4-benzyl Ester

    3. L-aspartic Acid Beta-benzyl Ester

    4. 4-benzyl L-aspartate

    5. Beta-benzyl L-aspartate

    6. (2s)-2-amino-4-oxo-4-phenylmethoxybutanoic Acid

    7. (s)-2-amino-4-(benzyloxy)-4-oxobutanoic Acid

    8. Zj9urq9gf6

    9. (2s)-2-amino-4-(benzyloxy)-4-oxobutanoic Acid

    10. L-aspartic Acid, 4-(phenylmethyl) Ester

    11. (2s)-2-azaniumyl-4-oxo-4-phenylmethoxybutanoate

    12. Mfcd00037208

    13. Asp(obzl)

    14. Pbb-asp

    15. Benzyl Hydrogen Beta-l-aspartate

    16. Nsc-524167

    17. Beta-benzyl Aspartate

    18. H-asp(obz)-oh

    19. H-asp-(obzl)-oh

    20. Unii-zj9urq9gf6

    21. Poly-beta-benzyl-aspartate

    22. Poly-beta-benzyl-l-aspartate

    23. 25248-99-1

    24. Schembl730848

    25. .beta.-benzyl Aspartate

    26. Chembl4077582

    27. Chebi:167842

    28. Dtxsid101347319

    29. Zinc156682

    30. Einecs 218-541-8

    31. Mfcd07778077

    32. 4-(phenylmethyl) Hydrogen L-aspartate

    33. Akos015888231

    34. Akos015924123

    35. Cs-w020671

    36. Nsc 524167

    37. Ds-13764

    38. Hy-30230

    39. B-1010

    40. M03009

    41. Benzyl Hydrogen Beta-l-aspartate;h-asp(obzl)-oh

    42. 177a631

    43. A851369

    44. J-300068

    45. L-aspartic Acid, 4-(phenylmethyl) Ester, Homopolymer

    46. N-(2ct Resin)-l-asp(bzl)-oh (200-400 Mesh, > 0.3 Mmol/g)

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 223.22 g/mol
    Molecular Formula C11H13NO4
    XLogP3-2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count6
    Exact Mass223.08445790 g/mol
    Monoisotopic Mass223.08445790 g/mol
    Topological Polar Surface Area89.6 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity248
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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