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    Enlicitide

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    2D Structure
    Also known as: Mk-0616 (chloride), R7ez772vg2, Gtpl13944, 2407527-14-2, L-proline, l-alanyl-3-[[1-oxo-6-(trimethylammonio)hexyl]amino]-d-alanyl-3-[[(2-hydroxyacetyl)amino]methyl]-l-phenylalanyl-1-[6-[[[4-(2-aminoethyl)phenyl]methyl](3-carboxy-1-oxopropyl)amino]hexyl]-5-fluoro-l-tryptophyl-(3s)-3-hydroxy-l-prolyl-l-threonyl-o-methyl-l-tyrosyl-2-methyl-, (4-->1),(8-->4)-dilactam, cyclic (3-->5)-ether
    Molecular Formula
    C82H110FN14O15+
    Molecular Weight
    1550.8  g/mol
    InChI Key
    ZJMSWDDEBKNMLX-HMPNVHCESA-O
    FDA UNII
    R7EZ772VG2
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [6-[[(11S,17S,20S,23S,27S,39S,42S,63S,66R)-47-fluoro-20-[(1R)-1-hydroxyethyl]-17-[(4-methoxyphenyl)methyl]-11,63-dimethyl-10,16,19,22,30,40,58,61,64,67,70-undecaoxo-28-oxa-1,9,15,18,21,24,31,41,51,62,65,68-dodecazanonacyclo[37.18.11.23,6.124,42.133,37.144,51.011,15.023,27.045,50]triheptaconta-3(73),4,6(72),33,35,37(71),44(69),45(50),46,48-decaen-66-yl]methylamino]-6-oxohexyl]-trimethylazanium
    2.1.2 InChI
    InChI=1S/C82H109FN14O15/c1-51-74(103)91-65(47-86-68(99)19-11-10-14-40-97(4,5)6)76(105)88-62-43-56-17-15-18-57(41-56)46-85-70(101)50-112-67-33-39-95-73(67)78(107)92-72(52(2)98)77(106)90-63(42-54-24-27-60(111-7)28-25-54)80(109)96-38-16-34-82(96,3)81(110)84-35-32-53-20-22-55(23-21-53)48-94(71(102)31-30-69(100)87-51)37-13-9-8-12-36-93-49-58(44-64(79(95)108)89-75(62)104)61-45-59(83)26-29-66(61)93/h15,17-18,20-29,41,45,49,51-52,62-65,67,72-73,98H,8-14,16,19,30-40,42-44,46-48,50H2,1-7H3,(H8-,84,85,86,87,88,89,90,91,92,99,100,101,103,104,105,106,107,110)/p+1/t51-,52+,62-,63-,64-,65+,67-,72-,73-,82-/m0/s1
    2.1.3 InChI Key
    ZJMSWDDEBKNMLX-HMPNVHCESA-O
    2.2 Other Identifiers
    2.2.1 UNII
    R7EZ772VG2
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Mk-0616 (chloride)

    2. R7ez772vg2

    3. Gtpl13944

    4. 2407527-14-2

    5. L-proline, L-alanyl-3-[[1-oxo-6-(trimethylammonio)hexyl]amino]-d-alanyl-3-[[(2-hydroxyacetyl)amino]methyl]-l-phenylalanyl-1-[6-[[[4-(2-aminoethyl)phenyl]methyl](3-carboxy-1-oxopropyl)amino]hexyl]-5-fluoro-l-tryptophyl-(3s)-3-hydroxy-l-prolyl-l-threonyl-o-methyl-l-tyrosyl-2-methyl-, (4-->1),(8-->4)-dilactam, Cyclic (3-->5)-ether

    2.4 Create Date
    2022-09-27
    3 Chemical and Physical Properties
    Molecular Weight 1550.8 g/mol
    Molecular Formula C82H110FN14O15+
    XLogP34.2
    Hydrogen Bond Donor Count10
    Hydrogen Bond Acceptor Count16
    Rotatable Bond Count12
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area366
    Heavy Atom Count112
    Formal Charge1
    Complexity3240
    Isotope Atom Count0
    Defined Atom Stereocenter Count10
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1