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    Gonadoliberin

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Luteinizing hormone releasing hormone (lh-rh), salmon, Luteinizing hormone releasing hormone salmon, Pyr-his-trp-ser-tyr-gly-trp-leu-pro-gly-nh2, Lh-rh (lhrh), Gtpl1162, Ls-15520
    Molecular Formula
    C60H73N15O13
    Molecular Weight
    1212.3  g/mol
    InChI Key
    NMJREATYWWNIKX-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[1-[[1-[[1-[[1-[[2-[[1-[[1-[2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
    2.1.2 InChI
    InChI=1S/C60H73N15O13/c1-32(2)20-47(60(88)75-19-7-12-49(75)59(87)65-28-50(61)78)73-55(83)44(22-34-25-63-40-10-5-3-8-38(34)40)69-52(80)29-66-53(81)43(21-33-13-15-37(77)16-14-33)70-58(86)48(30-76)74-56(84)45(23-35-26-64-41-11-6-4-9-39(35)41)71-57(85)46(24-36-27-62-31-67-36)72-54(82)42-17-18-51(79)68-42/h3-6,8-11,13-16,25-27,31-32,42-49,63-64,76-77H,7,12,17-24,28-30H2,1-2H3,(H2,61,78)(H,62,67)(H,65,87)(H,66,81)(H,68,79)(H,69,80)(H,70,86)(H,71,85)(H,72,82)(H,73,83)(H,74,84)
    2.1.3 InChI Key
    NMJREATYWWNIKX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)CC(C(=O)N1CCCC1C(=O)NCC(=O)N)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CNC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CO)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CC7=CN=CN7)NC(=O)C8CCC(=O)N8
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Luteinizing Hormone Releasing Hormone (lh-rh), Salmon

    2. Luteinizing Hormone Releasing Hormone Salmon

    3. Pyr-his-trp-ser-tyr-gly-trp-leu-pro-gly-nh2

    4. Lh-rh (lhrh)

    5. Gtpl1162

    6. Ls-15520

    7. Q27077828

    8. Luteinizing Hormone Releasing Hormone Salmon, >=97% (hplc)

    2.3 Create Date
    2007-07-04
    3 Chemical and Physical Properties
    Molecular Weight 1212.3 g/mol
    Molecular Formula C60H73N15O13
    XLogP30.5
    Hydrogen Bond Donor Count15
    Hydrogen Bond Acceptor Count14
    Rotatable Bond Count29
    Exact Mass1211.55122744 g/mol
    Monoisotopic Mass1211.55122744 g/mol
    Topological Polar Surface Area426 Ų
    Heavy Atom Count88
    Formal Charge0
    Complexity2480
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count8
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1