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    Chemistry

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    Also known as: Cr845 acetate, Cr-845 acetate, 1024829-44-4, Unii-0p70ar5byb, 0p70ar5byb, Korsuva
    Molecular Formula
    C38H57N7O8
    Molecular Weight
    739.9  g/mol
    InChI Key
    MZWHRPKAHCWTOI-KGURMGBCSA-N
    FDA UNII
    0P70AR5BYB
    Difelikefalin Acetate
    DIFELIKEFALIN ACETATE is a Protein drug with a maximum clinical trial phase of IV (across all indications) that was first approved in 2021 and is indicated for chronic kidney disease and pruritus.
    1 2D Structure

    Difelikefalin Acetate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    acetic acid;4-amino-1-[(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]piperidine-4-carboxylic acid
    2.1.2 InChI
    InChI=1S/C36H53N7O6.C2H4O2/c1-24(2)21-29(32(45)40-28(15-9-10-18-37)34(47)43-19-16-36(39,17-20-43)35(48)49)42-33(46)30(23-26-13-7-4-8-14-26)41-31(44)27(38)22-25-11-5-3-6-12-25;1-2(3)4/h3-8,11-14,24,27-30H,9-10,15-23,37-39H2,1-2H3,(H,40,45)(H,41,44)(H,42,46)(H,48,49);1H3,(H,3,4)/t27-,28-,29-,30-;/m1./s1
    2.1.3 InChI Key
    MZWHRPKAHCWTOI-KGURMGBCSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    0P70AR5BYB
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4-piperidinecarboxylic Acid, 4-amino-1-((2r)-6-amino-2-(((2r)-2-(((2r)-2-(((2r)-2-amino-1-oxo-3-phenylpropyl)amino)-1-oxo-3-phenylpropyl)amino)-4-methyl-1-oxopentyl)amino)-1-oxohexyl)-

    2. Difelikefalin

    3. Korsuva

    4. N-((2r)-1-(((2r)-1-(((2r)-6-amino-1-(4-amino-4-carboxy-1-piperidinyl)-1-oxo-2-hexanyl)amino)-4-methyl-1-oxo-2-pentanyl)amino)-1-oxo-3-phenyl-2-propanyl)-d-phenylalaninamide

    2.3.2 Depositor-Supplied Synonyms

    1. Cr845 Acetate

    2. Cr-845 Acetate

    3. 1024829-44-4

    4. Unii-0p70ar5byb

    5. 0p70ar5byb

    6. Korsuva

    7. 4-amino-1-(d-phenylalanyl-d-phenylalanyl-d-leucyl-d-lysl)-piperidine-4-carboxylic Acid, Acetate Salt

    8. Acetic Acid;4-amino-1-[(2r)-6-amino-2-[[(2r)-2-[[(2r)-2-[[(2r)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]piperidine-4-carboxylic Acid

    9. Difelikefalin (acetate)

    10. Chembl5315123

    11. Hy-17609c

    12. 1024828-77-0 , Difelikefalin

    13. Difelikefalin Acetate [who-dd]

    14. Ac-38232

    15. Ts-10624

    16. Difelikefalin Acetate [orange Book]

    17. 4-amino-1-(d-phenylalanyl-d-phenylalanyl-d-leucyl-d-lysyl)piperidine-4-carboxylic Acid Acetate

    18. N1-(d-phenylalanyl-d-phenylalanyl-d-leucyl-d-lysyl)-4-amino-4-piperidinecarboxylic Acid Acetate (1:)

    19. N1-(d-phenylalanyl-d-phenylalanyl-d-leucyl-d-lysyl)-4-amino-4-piperidinecarboxylic Acid Acetate (1:?)

    2.4 Create Date
    2015-09-11
    3 Chemical and Physical Properties
    Molecular Weight 739.9 g/mol
    Molecular Formula C38H57N7O8
    Hydrogen Bond Donor Count8
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count18
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area260
    Heavy Atom Count53
    Formal Charge0
    Complexity1110
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

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