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    Mirivadelgat

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    2D Structure
    Also known as: Mirivadelgat [inn], Schembl18582798, 22tb7q431d, 1804941-96-5, L-valine 2-[4-(cyclopropylmethoxy)-3-[n-(3-fluoro-4-methoxybenzyl)carbamoyl]phenyl]pyridin-3-ylmethyl ester, L-valine, [2-[4-(cyclopropylmethoxy)-3-[[[(3-fluoro-4-methoxyphenyl)methyl]amino]carbonyl]phenyl]-3-pyridinyl]methyl ester
    Molecular Formula
    C30H34FN3O5
    Molecular Weight
    535.6  g/mol
    InChI Key
    ONYMVJFFLSQCKA-MHZLTWQESA-N
    FDA UNII
    22TB7Q431D
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]phenyl]pyridin-3-yl]methyl (2S)-2-amino-3-methylbutanoate
    2.1.2 InChI
    InChI=1S/C30H34FN3O5/c1-18(2)27(32)30(36)39-17-22-5-4-12-33-28(22)21-9-11-25(38-16-19-6-7-19)23(14-21)29(35)34-15-20-8-10-26(37-3)24(31)13-20/h4-5,8-14,18-19,27H,6-7,15-17,32H2,1-3H3,(H,34,35)/t27-/m0/s1
    2.1.3 InChI Key
    ONYMVJFFLSQCKA-MHZLTWQESA-N
    2.2 Other Identifiers
    2.2.1 UNII
    22TB7Q431D
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Mirivadelgat [inn]

    2. Schembl18582798

    3. 22tb7q431d

    4. 1804941-96-5

    5. L-valine 2-[4-(cyclopropylmethoxy)-3-[n-(3-fluoro-4-methoxybenzyl)carbamoyl]phenyl]pyridin-3-ylmethyl Ester

    6. L-valine, [2-[4-(cyclopropylmethoxy)-3-[[[(3-fluoro-4-methoxyphenyl)methyl]amino]carbonyl]phenyl]-3-pyridinyl]methyl Ester

    2.4 Create Date
    2017-04-22
    3 Chemical and Physical Properties
    Molecular Weight 535.6 g/mol
    Molecular Formula C30H34FN3O5
    XLogP34.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count13
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area113
    Heavy Atom Count39
    Formal Charge0
    Complexity797
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1