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    88784-33-2

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 88784-33-2, (2s)-2-(1,3-dioxoisoindol-2-yl)-5-oxo-5-phenylmethoxypentanoic acid, Dtxsid50455228, Ec 443-560-5, Refchem:398650, Dtxcid40406047
    Molecular Formula
    C20H17NO6
    Molecular Weight
    367.4  g/mol
    InChI Key
    MQUZTINHMZQECR-INIZCTEOSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-2-(1,3-dioxoisoindol-2-yl)-5-oxo-5-phenylmethoxypentanoic acid
    2.1.2 InChI
    InChI=1S/C20H17NO6/c22-17(27-12-13-6-2-1-3-7-13)11-10-16(20(25)26)21-18(23)14-8-4-5-9-15(14)19(21)24/h1-9,16H,10-12H2,(H,25,26)/t16-/m0/s1
    2.1.3 InChI Key
    MQUZTINHMZQECR-INIZCTEOSA-N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 88784-33-2

    2. (2s)-2-(1,3-dioxoisoindol-2-yl)-5-oxo-5-phenylmethoxypentanoic Acid

    3. Dtxsid50455228

    4. Ec 443-560-5

    5. Refchem:398650

    6. Dtxcid40406047

    7. 5-(phenylmethyl) (2s)-2-(1,3-dihydro-1,3-dioxo-2h-isoindol-2-yl)pentanedioate

    8. 443-560-5

    9. (s)-5-(benzyloxy)-2-(1,3-dioxoisoindolin-2-yl)-5-oxopentanoic Acid

    10. C20h17no6

    11. Mfcd13152207

    12. (s)-5-(benzyloxy)-2-(1,3- Dioxoisoindolin-2-yl)-5- Oxopentanoic Acid

    13. Schembl1329008

    14. 5-benzyl(s)-2-phthalimidoglutarate

    15. (s)-2-(1,3-dioxo-1,3-dihydroisoindol-2-yl)pentanedioic Acid 5-benzyl Ester

    16. Akos016007957

    17. Ds-17613

    18. Sy105725

    19. Db-019645

    20. Cs-0156250

    21. C76978

    22. 784b332

    23. F234435

    24. (s)-2-phthalimido-5-oxo-5-(phenylmethoxy)-pentanoic Acid

    25. (s)-2-phthalimido-5-oxo-5-(phenylmethoxy)pentanoic Acid

    26. (s)-5-(benzyloxy)-2-(1,3-dioxoisoindolin-2-yl)-5-oxopentanoicacid

    27. (2s)-5-benzyloxy-2-(1,3-dioxoisoindolin-2-yl)-5-oxo-pentanoic Acid

    28. (s)-2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-pentanedioic Acid 5-benzyl Ester

    29. Alpha(s)-(2-benzyloxycarbonylethyl)-1,3-dihydro-1,3-dioxo-2-isoindoleacetic Acid

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 367.4 g/mol
    Molecular Formula C20H17NO6
    XLogP32.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count8
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area101
    Heavy Atom Count27
    Formal Charge0
    Complexity573
    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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