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    Pegunigalsidase alfa

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    2D Structure
    Also known as: Pegunigalsidase-alfa, Q27270744
    Molecular Formula
    C24H44N6O9
    Molecular Weight
    560.6  g/mol
    InChI Key
    CQPWQUAJPPFCDP-ROUUACIJSA-N
    Pegunigalsidase alfa is under investigation in clinical trial NCT02921620 (Study to Evaluate the Safety and EffIcacy of PRX-102 on Gastrointestinal Symptoms in Nave Fabry Disease).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-2-amino-6-[[4-[2-[2-[[4-[[(5S)-5-amino-5-carboxypentyl]amino]-4-oxobutanoyl]amino]ethoxy]ethylamino]-4-oxobutanoyl]amino]hexanoic acid
    2.1.2 InChI
    InChI=1S/C24H44N6O9/c25-17(23(35)36)5-1-3-11-27-19(31)7-9-21(33)29-13-15-39-16-14-30-22(34)10-8-20(32)28-12-4-2-6-18(26)24(37)38/h17-18H,1-16,25-26H2,(H,27,31)(H,28,32)(H,29,33)(H,30,34)(H,35,36)(H,37,38)/t17-,18-/m0/s1
    2.1.3 InChI Key
    CQPWQUAJPPFCDP-ROUUACIJSA-N
    2.1.4 Canonical SMILES
    C(CCNC(=O)CCC(=O)NCCOCCNC(=O)CCC(=O)NCCCCC(C(=O)O)N)CC(C(=O)O)N
    2.1.5 Isomeric SMILES
    C(CCNC(=O)CCC(=O)NCCOCCNC(=O)CCC(=O)NCCCC[C@@H](C(=O)O)N)C[C@@H](C(=O)O)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Pegunigalsidase-alfa

    2. Q27270744

    2.3 Create Date
    2016-08-16
    3 Chemical and Physical Properties
    Molecular Weight 560.6 g/mol
    Molecular Formula C24H44N6O9
    XLogP3-8
    Hydrogen Bond Donor Count8
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count24
    Exact Mass560.31697700 g/mol
    Monoisotopic Mass560.31697700 g/mol
    Topological Polar Surface Area252 Ų
    Heavy Atom Count39
    Formal Charge0
    Complexity719
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Indication

    Treatment of Fabry disease

    5 Pharmacology and Biochemistry
    5.1 ATC Code

    A - Alimentary tract and metabolism

    A16 - Other alimentary tract and metabolism products

    A16A - Other alimentary tract and metabolism products

    A16AB - Enzymes

    A16AB20 - Pegunigalsidase alfa