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    Elamipretide

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
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    2D Structure
    Also known as: 736992-21-5, Bendavia, Mtp-131, Ocuvia, Mtp 131, Rx 31
    Molecular Formula
    C32H49N9O5
    Molecular Weight
    639.8  g/mol
    InChI Key
    SFVLTCAESLKEHH-WKAQUBQDSA-N
    FDA UNII
    87GWG91S09
    Elamipretide has been used in trials studying the treatment of Leber's Hereditary Optic Neuropathy.
    1 2D Structure

    2D Structure

    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
    2.1.2 InChI
    InChI=1S/C32H49N9O5/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)/t24-,25+,26+,27+/m1/s1
    2.1.3 InChI Key
    SFVLTCAESLKEHH-WKAQUBQDSA-N
    2.1.4 Canonical SMILES
    CC1=CC(=CC(=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC2=CC=CC=C2)C(=O)N)NC(=O)C(CCCN=C(N)N)N)C)O
    2.1.5 Isomeric SMILES
    CC1=CC(=CC(=C1C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N)NC(=O)[C@@H](CCCN=C(N)N)N)C)O
    2.2 Other Identifiers
    2.2.1 UNII
    87GWG91S09
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Arg-dmt-lys-phe-nh2

    2. Arginyl-2,'6'-dimethyltyrosyl-lysyl-phenylalaninamide

    3. Bendavia

    4. D-arg-dmt-lys-phe-nh2

    5. Mtp-131

    6. Ss-31 Peptide

    7. Ss31 Peptide

    2.3.2 Depositor-Supplied Synonyms

    1. 736992-21-5

    2. Bendavia

    3. Mtp-131

    4. Ocuvia

    5. Mtp 131

    6. Rx 31

    7. Ss 31

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

    9. Unii-87gwg91s09

    10. Szeto-schiller Peptide

    11. Rx-31

    12. Ss-31

    13. Nh2-d-arg-dmt-lys-phe-nh2

    14. 87gwg91s09

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

    16. (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

    17. (s)-6-amino-n-((s)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-((s)-2-((r)-2-amino-5-guanidinopentanamido)-3-(4-hydroxy-2,6-dimethylphenyl)propanamido)hexanamide

    18. Ss-31 Peptide

    19. Arg-dmt-lys-phe-nh2

    20. D-arg-dmt-lys-phe-nh2

    21. Ss31 Peptide

    22. Elamipretide [inn]

    23. Elamipretide [usan:inn]

    24. Elamipretide (usan/inn)

    25. Elamipretide [usan]

    26. Elamipretide (mtp-131)

    27. Elamipretide [who-dd]

    28. Arginyl-2,'6'-dimethyltyrosyl-lysyl-phenylalaninamide

    29. Chembl3833370

    30. Schembl15028020

    31. Dtxsid50471988

    32. Ss-31mtp-131

    33. Hy-p0125

    34. S9803

    35. Zinc43130902

    36. Cs-5846

    37. Db11981

    38. D10925

    39. D78262

    40. A901134

    41. Q27269822

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 639.8 g/mol
    Molecular Formula C32H49N9O5
    XLogP30
    Hydrogen Bond Donor Count9
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count19
    Exact Mass639.38566570 g/mol
    Monoisotopic Mass639.38566570 g/mol
    Topological Polar Surface Area267 Ų
    Heavy Atom Count46
    Formal Charge0
    Complexity991
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1