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    Pentadecapeptide

    DEVELOPMENTS

    PharmaCompass
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    2D Structure
    Also known as: Ingap-pp, Unii-ass7b5vh92, Ass7b5vh92, 353273-97-9, Islet neogenesis-associated protein pentadecapeptide, Islet neogenesis-associated protein peptide (104-118)
    Molecular Formula
    C64H100N20O22
    Molecular Weight
    1501.6  g/mol
    InChI Key
    WMUIYURBHSELFV-NZODMTSUSA-N
    FDA UNII
    ASS7B5VH92
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3S)-4-[(2S)-2-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3R)-1-[[(2S)-1-[(2S)-2-[[(2S)-4-amino-1-[[2-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-2-oxoethyl]amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxobutanoic acid
    2.1.2 InChI
    InChI=1S/C64H100N20O22/c1-8-32(6)51(66)60(101)71-24-47(89)74-36(15-30(2)3)55(96)77-38(18-35-22-68-29-73-35)56(97)79-41(20-50(92)93)63(104)84-14-10-12-45(84)59(100)81-42(26-85)57(98)76-37(17-34-21-67-28-72-34)53(94)70-25-49(91)82-52(33(7)87)61(102)80-40(16-31(4)5)62(103)83-13-9-11-44(83)58(99)78-39(19-46(65)88)54(95)69-23-48(90)75-43(27-86)64(105)106/h21-22,28-33,36-45,51-52,85-87H,8-20,23-27,66H2,1-7H3,(H2,65,88)(H,67,72)(H,68,73)(H,69,95)(H,70,94)(H,71,101)(H,74,89)(H,75,90)(H,76,98)(H,77,96)(H,78,99)(H,79,97)(H,80,102)(H,81,100)(H,82,91)(H,92,93)(H,105,106)/t32-,33+,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,51-,52-/m0/s1
    2.1.3 InChI Key
    WMUIYURBHSELFV-NZODMTSUSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    ASS7B5VH92
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Ingap-pp

    2. Unii-ass7b5vh92

    3. Ass7b5vh92

    4. 353273-97-9

    5. Islet Neogenesis-associated Protein Pentadecapeptide

    6. Islet Neogenesis-associated Protein Peptide (104-118)

    7. Ile-gly-leu-his-asp-pro-ser-his-gly-thr-leu-pro-asn-gly-ser

    8. L-serine, L-isoleucylglycyl-l-leucyl-l-histidyl-l-alpha-aspartyl-l-prolyl-l-seryl-l-histidylglycyl-l-threonyl-l-leucyl-l-prolyl-l-asparaginylglycyl-

    9. Schembl29362916

    10. Q27274101

    11. L-serine, L-isoleucylglycyl-l-leucyl-l-histidyl-l-.alpha.-aspartyl-l-prolyl-l-seryl-l-histidylglycyl-l-threonyl-l-leucyl-l-prolyl-l-asparaginylglycyl-

    2.4 Create Date
    2007-07-04
    3 Chemical and Physical Properties
    Molecular Weight 1501.6 g/mol
    Molecular Formula C64H100N20O22
    XLogP3-8.8
    Hydrogen Bond Donor Count21
    Hydrogen Bond Acceptor Count25
    Rotatable Bond Count44
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area652
    Heavy Atom Count106
    Formal Charge0
    Complexity3130
    Isotope Atom Count0
    Defined Atom Stereocenter Count14
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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