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    Thymulin

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Thymulin, Serum thymic factor, 63958-90-7, Thymic factor, Nonathymulin [inn], Serum thymic factor (porcine)
    Molecular Formula
    C33H54N12O15
    Molecular Weight
    858.9  g/mol
    InChI Key
    LIFNDDBLJFPEAN-BPSSIEEOSA-N
    FDA UNII
    9H198D04WL
    A thymus-dependent nonapeptide found in normal blood. Stimulates the formation of E rosettes and is believed to be involved in T-cell differentiation.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-4-amino-2-[[(2S)-2-[[2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid
    2.1.2 InChI
    InChI=1S/C33H54N12O15/c1-15(39-29(55)18-6-8-24(50)40-18)27(53)42-16(4-2-3-9-34)30(56)45-21(14-47)32(58)43-17(5-7-22(35)48)28(54)38-11-25(51)37-12-26(52)41-20(13-46)31(57)44-19(33(59)60)10-23(36)49/h15-21,46-47H,2-14,34H2,1H3,(H2,35,48)(H2,36,49)(H,37,51)(H,38,54)(H,39,55)(H,40,50)(H,41,52)(H,42,53)(H,43,58)(H,44,57)(H,45,56)(H,59,60)/t15-,16-,17-,18-,19-,20-,21-/m0/s1
    2.1.3 InChI Key
    LIFNDDBLJFPEAN-BPSSIEEOSA-N
    2.1.4 Canonical SMILES
    CC(C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CCC(=O)N)C(=O)NCC(=O)NCC(=O)NC(CO)C(=O)NC(CC(=O)N)C(=O)O)NC(=O)C1CCC(=O)N1
    2.1.5 Isomeric SMILES
    C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@@H]1CCC(=O)N1
    2.2 Other Identifiers
    2.2.1 UNII
    9H198D04WL
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Circulating Factor, Thymic

    2. Circulating Thymic Factor

    3. Facteur Thymique Serique

    4. Factor, Circulating Thymic

    5. Factor, Serum Thymic

    6. Factor, Thymic Circulating

    7. Factor, Thymic Serum

    8. Serique, Facteur Thymique

    9. Serum Factor, Thymic

    10. Serum Thymic Factor

    11. Thymic Circulating Factor

    12. Thymic Factor, Circulating

    13. Thymic Factor, Serum

    14. Thymic Serum Factor

    15. Thymique Serique, Facteur

    16. Thymulin

    17. Thymuline

    2.3.2 Depositor-Supplied Synonyms

    1. Thymulin

    2. Serum Thymic Factor

    3. 63958-90-7

    4. Thymic Factor

    5. Nonathymulin [inn]

    6. Serum Thymic Factor (porcine)

    7. Thymic Serum Factor

    8. 9h198d04wl

    9. (2s)-4-amino-2-[[(2s)-2-[[2-[[2-[[(2s)-5-amino-2-[[(2s)-2-[[(2s)-6-amino-2-[[(2s)-2-[[(2s)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic Acid

    10. Thymalin

    11. N(sup 2)-(n-(n-(n-(n(sup 2)-(n-(n(sup 2)-(n-(-5-oxo-l-prolyl)-l-alanyl)-l-lysyl)-l-seryl)-l-glutaminyl)glycyl)glycyl)-l-seryl)-l-asparagine

    12. Thymic Serum Factor (pig)

    13. Thymulin (pig Peptide Moiety)

    14. Unii-9h198d04wl

    15. Thymulin, Lyophilized Powder

    16. Mls000028679

    17. Schembl2109423

    18. Chembl2106455

    19. Dtxsid10213801

    20. Glxc-25916

    21. Mfcd00076882

    22. Smr000058784

    23. Pglu-ala-lys-ser-gln-gly-gly-ser-asn-oh

    24. Pyroglu-ala-lys-ser-gln-gly-gly-ser-asnoh

    25. Q2007601

    26. (3s,6s,9s,12s,21s,24s)-24-(2-amino-2-oxoethyl)-12-(3-amino-3-oxopropyl)-6-(4-aminobutyl)-9,21-bis(hydroxymethyl)-3-methyl-1,4,7,10,13,16,19,22-octaoxo-1-((s)-5-oxopyrrolidin-2-yl)-2,5,8,11,14,17,20,23-octaazapentacosan-25-oic Acid

    27. (sup 2)n-(n-(n-(n-(sup 2)n-(n-(sup 2)n-(n-(-5-oxo-l-prolyl)-l-alanyl)-l-seryl)-l-glutaminyl)glycyl)glycyl)-l-seryl)-l-asparagine.

    28. L-asparagine, 5-oxo-l-prolyl-l-alanyl-l-lysyl-l-seryl-l-glutaminylglycylglycyl-l-seryl-

    2.4 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 858.9 g/mol
    Molecular Formula C33H54N12O15
    XLogP3-10.9
    Hydrogen Bond Donor Count15
    Hydrogen Bond Acceptor Count16
    Rotatable Bond Count28
    Exact Mass858.38315906 g/mol
    Monoisotopic Mass858.38315906 g/mol
    Topological Polar Surface Area452 Ų
    Heavy Atom Count60
    Formal Charge0
    Complexity1610
    Isotope Atom Count0
    Defined Atom Stereocenter Count7
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1