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    Atuzaginstat

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    2D Structure
    Also known as: Dgn7roz8en, Atuzaginstat [inn], 2211981-76-7, Cyclopentanecarboxamide, n-((1s)-5-amino-1-(2-(2,3,6-trifluorophenoxy)acetyl)pentyl)-, N-((3s)-7-amino-2-oxo-1-(2,3,6- trifluorophenoxy)heptan-3-yl)cyclopentanecarboxamide, Unii-dgn7roz8en
    Molecular Formula
    C19H25F3N2O3
    Molecular Weight
    386.4  g/mol
    InChI Key
    OLIMBXKACVCIMM-HNNXBMFYSA-N
    FDA UNII
    DGN7ROZ8EN
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[(3S)-7-amino-2-oxo-1-(2,3,6-trifluorophenoxy)heptan-3-yl]cyclopentanecarboxamide
    2.1.2 InChI
    InChI=1S/C19H25F3N2O3/c20-13-8-9-14(21)18(17(13)22)27-11-16(25)15(7-3-4-10-23)24-19(26)12-5-1-2-6-12/h8-9,12,15H,1-7,10-11,23H2,(H,24,26)/t15-/m0/s1
    2.1.3 InChI Key
    OLIMBXKACVCIMM-HNNXBMFYSA-N
    2.1.4 Canonical SMILES
    C1CCC(C1)C(=O)NC(CCCCN)C(=O)COC2=C(C=CC(=C2F)F)F
    2.1.5 Isomeric SMILES
    C1CCC(C1)C(=O)N[C@@H](CCCCN)C(=O)COC2=C(C=CC(=C2F)F)F
    2.2 Other Identifiers
    2.2.1 UNII
    DGN7ROZ8EN
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Cor388

    2.3.2 Depositor-Supplied Synonyms

    1. Dgn7roz8en

    2. Atuzaginstat [inn]

    3. 2211981-76-7

    4. Cyclopentanecarboxamide, N-((1s)-5-amino-1-(2-(2,3,6-trifluorophenoxy)acetyl)pentyl)-

    5. N-((3s)-7-amino-2-oxo-1-(2,3,6- Trifluorophenoxy)heptan-3-yl)cyclopentanecarboxamide

    6. Unii-dgn7roz8en

    7. Cor388

    8. Schembl19972758

    9. Cor-388

    10. Bdbm453275

    11. Ex-a6081

    12. Us10730826, Compound 1a-racemic

    13. Us10730826, Compound 1a-non-racemic

    14. N-[(3s)-7-amino-2-oxo-1-(2,3,6-trifluorophenoxy)heptan-3-yl]cyclopentanecarboxamide

    2.4 Create Date
    2018-06-23
    3 Chemical and Physical Properties
    Molecular Weight 386.4 g/mol
    Molecular Formula C19H25F3N2O3
    XLogP33
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count10
    Exact Mass386.18172715 g/mol
    Monoisotopic Mass386.18172715 g/mol
    Topological Polar Surface Area81.4 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity489
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1