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    CMX-2043

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 49,239Xls

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    2D Structure
    Also known as: Cmx-2043, Lip-ea, R-lip-ea-oh, 910627-26-8, 83v80o4xy1, R-lipoic acid-l-glutamate-l-alanine
    Molecular Formula
    C16H26N2O6S2
    Molecular Weight
    406.5  g/mol
    InChI Key
    MQXRTCVZPIHBLD-TUAOUCFPSA-N
    FDA UNII
    83V80O4XY1
    CMX-2043 has been used in trials studying the treatment and prevention of Non STEMI, Unstable Angina, Stable Coronary Artery Disease, and Percutaneous Coronary Intervention.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4S)-5-[[(1S)-1-carboxyethyl]amino]-4-[5-[(3R)-dithiolan-3-yl]pentanoylamino]-5-oxopentanoic acid
    2.1.2 InChI
    InChI=1S/C16H26N2O6S2/c1-10(16(23)24)17-15(22)12(6-7-14(20)21)18-13(19)5-3-2-4-11-8-9-25-26-11/h10-12H,2-9H2,1H3,(H,17,22)(H,18,19)(H,20,21)(H,23,24)/t10-,11+,12-/m0/s1
    2.1.3 InChI Key
    MQXRTCVZPIHBLD-TUAOUCFPSA-N
    2.1.4 Canonical SMILES
    CC(C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCCCC1CCSS1
    2.1.5 Isomeric SMILES
    C[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CCCC[C@@H]1CCSS1
    2.2 Other Identifiers
    2.2.1 UNII
    83V80O4XY1
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Alpha-n-(1,2-dithiolane-3-pentanoyl)-l-glutamyl-l-alanine

    2. Alpha-n-(1,2-dithiolane-3-pentanoyl)glutamylalanine

    3. Cmx-2043

    2.3.2 Depositor-Supplied Synonyms

    1. Cmx-2043

    2. Lip-ea

    3. R-lip-ea-oh

    4. 910627-26-8

    5. 83v80o4xy1

    6. R-lipoic Acid-l-glutamate-l-alanine

    7. Unii-83v80o4xy1

    8. Schembl9282164

    9. Chembl3099551

    10. Db12795

    11. Hy-119152

    12. Cs-0069067

    13. Q27269454

    14. N-[5-[(3r)-1,2-dithiolane-3-yl]pentanoyl]-l-glu-l-ala-oh

    15. Alpha-n-((r )-1,2-dithiolane-3-pentanoyl)-l-glutamyl-l-alanine

    16. .alpha.-n-((r )-1,2-dithiolane-3-pentanoyl)-l-glutamyl-l-alanine

    17. L-alanine, N-(5-(3r)-1,2-dithiolan-3-yl-1-oxopentyl)-l-alpha-glutamyl-

    18. L-alanine, N-(5-(3r)-1,2-dithiolan-3-yl-1-oxopentyl)-l-.alpha.-glutamyl-

    19. (4s)-4-(5-((3r)-dithiolan-3-yl)pentanoylamino)-5-(((1s)-2-hydroxy-1-methyl-2-oxo-ethyl)amino)-5-oxo-pentanoic Acid

    20. (4s)-5-[[(1s)-1-carboxyethyl]amino]-4-[5-[(3r)-dithiolan-3-yl]pentanoylamino]-5-oxopentanoic Acid

    2.4 Create Date
    2010-12-27
    3 Chemical and Physical Properties
    Molecular Weight 406.5 g/mol
    Molecular Formula C16H26N2O6S2
    XLogP30.7
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count12
    Exact Mass406.12322890 g/mol
    Monoisotopic Mass406.12322890 g/mol
    Topological Polar Surface Area183 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity517
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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