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    Technical details about AN15368, learn more about the structure, uses, toxicity, action, side effects and more

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    AN15368

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    2D Structure
    1. Also known as: An15368, 2152662-92-3, Ex-a7191, An-15368
    Molecular Formula
    C20H28BNO6
    Molecular Weight
    389.3  g/mol
    InChI Key
    MCKPYEQRZUCJKI-SFHVURJKSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    oxan-4-ylmethyl (2S)-2-[(1-hydroxy-7-methyl-3H-2,1-benzoxaborole-6-carbonyl)amino]-3-methylbutanoate
    2.1.2 InChI
    InChI=1S/C20H28BNO6/c1-12(2)18(20(24)27-10-14-6-8-26-9-7-14)22-19(23)16-5-4-15-11-28-21(25)17(15)13(16)3/h4-5,12,14,18,25H,6-11H2,1-3H3,(H,22,23)/t18-/m0/s1
    2.1.3 InChI Key
    MCKPYEQRZUCJKI-SFHVURJKSA-N
    2.1.4 Canonical SMILES
    B1(C2=C(CO1)C=CC(=C2C)C(=O)NC(C(C)C)C(=O)OCC3CCOCC3)O
    2.1.5 Isomeric SMILES
    B1(C2=C(CO1)C=CC(=C2C)C(=O)N[C@@H](C(C)C)C(=O)OCC3CCOCC3)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. An15368

    2. 2152662-92-3

    3. Ex-a7191

    4. An-15368

    2.3 Create Date
    2019-12-07
    3 Chemical and Physical Properties
    Molecular Weight 389.3 g/mol
    Molecular Formula C20H28BNO6
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count7
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area94.1
    Heavy Atom Count28
    Formal Charge0
    Complexity553
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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