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    Urokinase

    ACTIVE PHARMA INGREDIENTS

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    2D Structure
    Also known as: Nsc750394, Nsc-750394
    Molecular Formula
    C39H62N10O15
    Molecular Weight
    911.0  g/mol
    InChI Key
    NJSODKGEFNFGRI-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[[2-[[1-[1-[2-[[2-[[1-(2-acetamido-6-aminohexanoyl)pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoic acid
    2.1.2 InChI
    InChI=1S/C39H62N10O15/c1-21(52)42-24(7-2-3-15-40)37(62)47-16-4-8-27(47)36(61)45-25(19-50)34(59)46-26(20-51)38(63)49-18-6-10-29(49)39(64)48-17-5-9-28(48)35(60)44-23(12-14-31(55)56)33(58)43-22(32(41)57)11-13-30(53)54/h22-29,50-51H,2-20,40H2,1H3,(H2,41,57)(H,42,52)(H,43,58)(H,44,60)(H,45,61)(H,46,59)(H,53,54)(H,55,56)
    2.1.3 InChI Key
    NJSODKGEFNFGRI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CO)C(=O)N2CCCC2C(=O)N3CCCC3C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)N
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Ac-kpssppee-nh2

    2. Ac-lys-pro-ser-ser-pro-pro-glu-glu-nh2

    3. Acetyl-lysyl-prolyl-seryl-seryl-prolyl-prolyl-glutamyl-glutamic Acid Amide

    4. Urokinase Plasminogen Activator (136-143), Human

    2.2.2 Depositor-Supplied Synonyms

    1. Nsc750394

    2. Nsc-750394

    2.3 Create Date
    2011-12-19
    3 Chemical and Physical Properties
    Molecular Weight 911.0 g/mol
    Molecular Formula C39H62N10O15
    XLogP3-7.6
    Hydrogen Bond Donor Count11
    Hydrogen Bond Acceptor Count16
    Rotatable Bond Count25
    Exact Mass910.43961131 g/mol
    Monoisotopic Mass910.43961131 g/mol
    Topological Polar Surface Area391 Ų
    Heavy Atom Count64
    Formal Charge0
    Complexity1750
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count8
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1