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    Protropin

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    2D Structure
    Also known as: 88389-69-9, (4s)-5-[[(2s)-1-[(2s)-2-[[2-[(2s)-2-[[(2s)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-4-carboxy-1-oxobutan-2-yl]amino]-4-[[2-[[(2s)-2-[[(2s)-2-[[(2s)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-5-oxopentanoic acid, Protropin (14-23), Pomc (14-23), Val-ala-val-gly-glu-gly-pro-gly-pro-arg, Dtxsid20237013
    Molecular Formula
    C43H72N14O14
    Molecular Weight
    1009.1  g/mol
    InChI Key
    BDIVMSNLPYLUFI-FYNIJPSQSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4S)-5-[[(2S)-1-[(2S)-2-[[2-[(2S)-2-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-4-carboxy-1-oxobutan-2-yl]amino]-4-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-5-oxopentanoic acid
    2.1.2 InChI
    InChI=1S/C43H72N14O14/c1-21(2)33(44)40(69)51-23(5)36(65)55-34(22(3)4)41(70)49-19-29(58)52-25(12-14-31(60)61)37(66)54-26(13-15-32(62)63)42(71)57-18-8-10-27(57)38(67)50-20-30(59)56-17-7-11-28(56)39(68)53-24(35(45)64)9-6-16-48-43(46)47/h21-28,33-34H,6-20,44H2,1-5H3,(H2,45,64)(H,49,70)(H,50,67)(H,51,69)(H,52,58)(H,53,68)(H,54,66)(H,55,65)(H,60,61)(H,62,63)(H4,46,47,48)/t23-,24-,25-,26-,27-,28-,33-,34-/m0/s1
    2.1.3 InChI Key
    BDIVMSNLPYLUFI-FYNIJPSQSA-N
    2.1.4 Canonical SMILES
    CC(C)C(C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)N1CCCC1C(=O)NCC(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C(=O)N)N
    2.1.5 Isomeric SMILES
    C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@H](C(C)C)N
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Pomc (14-23)

    2. Protropin (14-23)

    3. Val-ala-val-gly-glu-gly-pro-gly-pro-arg

    2.2.2 Depositor-Supplied Synonyms

    1. 88389-69-9

    2. (4s)-5-[[(2s)-1-[(2s)-2-[[2-[(2s)-2-[[(2s)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-4-carboxy-1-oxobutan-2-yl]amino]-4-[[2-[[(2s)-2-[[(2s)-2-[[(2s)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-5-oxopentanoic Acid

    3. Protropin (14-23)

    4. Pomc (14-23)

    5. Val-ala-val-gly-glu-gly-pro-gly-pro-arg

    6. Dtxsid20237013

    7. L-argininamide, L-valyl-l-alanyl-l-valylglycyl-l-alpha-glutamylglycyl-l-prolylglycyl-l-prolyl-

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 1009.1 g/mol
    Molecular Formula C43H72N14O14
    XLogP3-6.4
    Hydrogen Bond Donor Count13
    Hydrogen Bond Acceptor Count16
    Rotatable Bond Count29
    Exact Mass1008.53524303 g/mol
    Monoisotopic Mass1008.53524303 g/mol
    Topological Polar Surface Area452 Ų
    Heavy Atom Count71
    Formal Charge0
    Complexity2000
    Isotope Atom Count0
    Defined Atom Stereocenter Count8
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1