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    2D Structure
    Also known as: Unii-49958o183z, Sf0166, 1621332-91-9, 49958o183z, (s)-3-(6-(difluoromethoxy)pyridin-3-yl)-3-(oxo-2-3-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl)imidazolidin-1-yl)propanoate, Schembl15914336
    Molecular Formula
    C23H27F2N5O4
    Molecular Weight
    475.5  g/mol
    InChI Key
    IGUVQCZYMKVWFL-SFHVURJKSA-N
    FDA UNII
    49958O183Z
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3S)-3-[6-(difluoromethoxy)pyridin-3-yl]-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoic acid
    2.1.2 InChI
    InChI=1S/C23H27F2N5O4/c24-22(25)34-19-8-6-16(14-27-19)18(13-20(31)32)30-12-11-29(23(30)33)10-2-4-17-7-5-15-3-1-9-26-21(15)28-17/h5-8,14,18,22H,1-4,9-13H2,(H,26,28)(H,31,32)/t18-/m0/s1
    2.1.3 InChI Key
    IGUVQCZYMKVWFL-SFHVURJKSA-N
    2.1.4 Canonical SMILES
    C1CC2=C(NC1)N=C(C=C2)CCCN3CCN(C3=O)C(CC(=O)O)C4=CN=C(C=C4)OC(F)F
    2.1.5 Isomeric SMILES
    C1CC2=C(NC1)N=C(C=C2)CCCN3CCN(C3=O)[C@@H](CC(=O)O)C4=CN=C(C=C4)OC(F)F
    2.2 Other Identifiers
    2.2.1 UNII
    49958O183Z
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Unii-49958o183z

    2. Sf0166

    3. 1621332-91-9

    4. 49958o183z

    5. (s)-3-(6-(difluoromethoxy)pyridin-3-yl)-3-(oxo-2-3-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl)imidazolidin-1-yl)propanoate

    6. Schembl15914336

    7. Iguvqczymkvwfl-sfhvurjksa-n

    8. Bdbm606864

    9. Glxc-15073

    10. Us11685738, Compound A1

    11. Ot-166

    12. Hy-117133

    13. Cs-0063976

    14. (s)-3-(6-(difluoromethoxy)pyridin-3-yl)-3-(2-oxo-3-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl)imidazolidin-1-yl)propanoic Acid

    2.3.2 Other Synonyms

    1. Sf0166

    2.4 Create Date
    2014-08-18
    3 Chemical and Physical Properties
    Molecular Weight 475.5 g/mol
    Molecular Formula C23H27F2N5O4
    XLogP32.7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count10
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area108
    Heavy Atom Count34
    Formal Charge0
    Complexity702
    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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