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    Enkephalin

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    ANALYTICAL

    PharmaCompass
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    2D Structure
    Also known as: Yggfl, Leu-enkephalin;leucine enkephalin;leucyl-enkephalin, Nsc350588, Nsc-350588, [leu]-enkephalin, Leucine_enkephalin
    Molecular Formula
    C28H37N5O7
    Molecular Weight
    555.6  g/mol
    InChI Key
    URLZCHNOLZSCCA-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid
    2.1.2 InChI
    InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)
    2.1.3 InChI Key
    URLZCHNOLZSCCA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(CC2=CC=C(C=C2)O)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Yggfl

    2. Leu-enkephalin;leucine Enkephalin;leucyl-enkephalin

    3. Nsc350588

    4. Nsc-350588

    5. [leu]-enkephalin

    6. Leucine_enkephalin

    7. Spectrum_001429

    8. Spectrum2_001177

    9. Spectrum3_001521

    10. Spectrum4_001048

    11. Spectrum5_000656

    12. Bspbio_002902

    13. Kbiogr_001316

    14. Kbioss_001909

    15. Divk1c_001010

    16. Schembl631958

    17. Spbio_001193

    18. Gtpl1613

    19. Chebi:91634

    20. Hms503i21

    21. Kbio1_001010

    22. Kbio2_001909

    23. Kbio2_004477

    24. Kbio2_007045

    25. Kbio3_002402

    26. Ninds_001010

    27. Ccg-40269

    28. Idi1_001010

    29. Smp1_000176

    30. Ncgc00178398-01

    31. 2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic Acid

    32. Ft-0770723

    33. L000867

    34. Brd-a32836748-001-01-1

    35. Q27080195

    36. 14-amino-5-benzyl-15-(4-hydroxyphenyl)-2-isobutyl-4,10,13-tetraoxo-3,6,9,12-tetraazapentadecan-1-oic Acid

    2.3 Create Date
    2005-03-25
    3 Chemical and Physical Properties
    Molecular Weight 555.6 g/mol
    Molecular Formula C28H37N5O7
    XLogP3-2.3
    Hydrogen Bond Donor Count7
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count15
    Exact Mass555.26929854 g/mol
    Monoisotopic Mass555.26929854 g/mol
    Topological Polar Surface Area200 Ų
    Heavy Atom Count40
    Formal Charge0
    Complexity854
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count3
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1