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    Epitalon

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 307297-39-8, Epithalon, Epithalone, Ala-glu-asp-gly, Glycine, l-alanyl-l-alpha-glutamyl-l-alpha-aspartyl-, O65p17785g
    Molecular Formula
    C14H22N4O9
    Molecular Weight
    390.35  g/mol
    InChI Key
    HGHOBRRUMWJWCU-FXQIFTODSA-N
    FDA UNII
    O65P17785G
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4S)-4-[[(2S)-2-aminopropanoyl]amino]-5-[[(2S)-3-carboxy-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
    2.1.2 InChI
    InChI=1S/C14H22N4O9/c1-6(15)12(25)17-7(2-3-9(19)20)14(27)18-8(4-10(21)22)13(26)16-5-11(23)24/h6-8H,2-5,15H2,1H3,(H,16,26)(H,17,25)(H,18,27)(H,19,20)(H,21,22)(H,23,24)/t6-,7-,8-/m0/s1
    2.1.3 InChI Key
    HGHOBRRUMWJWCU-FXQIFTODSA-N
    2.1.4 Canonical SMILES
    CC(C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)NCC(=O)O)N
    2.1.5 Isomeric SMILES
    C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)O)N
    2.2 Other Identifiers
    2.2.1 UNII
    O65P17785G
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Ae-0 Peptide

    2. Ala-glu-asp-gly

    3. Alanyl-glutamyl-aspartyl-glycine

    4. Epithalon

    5. Epithalone

    2.3.2 Depositor-Supplied Synonyms

    1. 307297-39-8

    2. Epithalon

    3. Epithalone

    4. Ala-glu-asp-gly

    5. Glycine, L-alanyl-l-alpha-glutamyl-l-alpha-aspartyl-

    6. O65p17785g

    7. (4s)-4-[[(2s)-2-aminopropanoyl]amino]-5-[[(2s)-3-carboxy-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic Acid

    8. 64082-79-7

    9. Epithalamin

    10. Epithalamine

    11. Unii-o65p17785g

    12. Ae-0 Peptide

    13. L-alanyl-l-&alpha

    14. Alanyl-glutamyl-aspartyl-glycine

    15. Schembl5685928

    16. Dtxsid80952957

    17. Glxc-25920

    18. Bcp13981

    19. Hy-p1149

    20. Zinc3966198

    21. Ac-33517

    22. Cs-0028299

    23. Glycine, L-alanyl-l-a-glutamyl-l-a-aspartyl-

    24. A14399

    25. A876104

    26. Glycine, L-alanyl-l-a-glutamyl-l-a-aspartyl- Acetate

    27. Q27285389

    28. Glycine, L-alanyl-l-.alpha.-glutamyl-l-.alpha.-aspartyl-

    2.4 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 390.35 g/mol
    Molecular Formula C14H22N4O9
    XLogP3-5.5
    Hydrogen Bond Donor Count7
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count12
    Exact Mass390.13867829 g/mol
    Monoisotopic Mass390.13867829 g/mol
    Topological Polar Surface Area225 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity607
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1