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    Chemistry

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    Also known as: Elamipretide trihydrochloride, E40wz3bk2d, Elamipretide hydrochloride [usan], Unii-e40wz3bk2d, 2244098-12-0, Elamipretide hydrochloride (usan)
    Molecular Formula
    C32H52Cl3N9O5
    Molecular Weight
    749.2  g/mol
    InChI Key
    NGOPFUMILSNWHH-QTSNMJAOSA-N
    FDA UNII
    E40WZ3BK2D
    Elamipretide Hydrochloride
    1 2D Structure

    Elamipretide Hydrochloride

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-6-amino-2-[[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]hexanamide;trihydrochloride
    2.1.2 InChI
    InChI=1S/C32H49N9O5.3ClH/c1-19-15-22(42)16-20(2)23(19)18-27(41-29(44)24(34)11-8-14-38-32(36)37)31(46)39-25(12-6-7-13-33)30(45)40-26(28(35)43)17-21-9-4-3-5-10-21;;;/h3-5,9-10,15-16,24-27,42H,6-8,11-14,17-18,33-34H2,1-2H3,(H2,35,43)(H,39,46)(H,40,45)(H,41,44)(H4,36,37,38);3*1H/t24-,25+,26+,27+;;;/m1.../s1
    2.1.3 InChI Key
    NGOPFUMILSNWHH-QTSNMJAOSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    E40WZ3BK2D
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Elamipretide Trihydrochloride

    2. E40wz3bk2d

    3. Elamipretide Hydrochloride [usan]

    4. Unii-e40wz3bk2d

    5. 2244098-12-0

    6. Elamipretide Hydrochloride (usan)

    7. L-phenylalaninamide, O-arginyl-2,6-dimethyl-l-tyrosyl-l-lysyl-, Hydrochloride (1:3)

    8. D-arginyl-2,6-dimethyl-l-tyrosyl-l-lysyl-l-phenylalaninamide, Trihydrochloride

    9. Refchem:136445

    10. Forzinity

    11. Forzinity (tn)

    12. Chembl4298161

    13. Schembl29414484

    14. D11542

    2.4 Create Date
    2019-03-16
    3 Chemical and Physical Properties
    Molecular Weight 749.2 g/mol
    Molecular Formula C32H52Cl3N9O5
    Hydrogen Bond Donor Count12
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count19
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area267
    Heavy Atom Count49
    Formal Charge0
    Complexity990
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count4

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