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    CAS 2915356-76-0

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 2915356-76-0, 628f25fnz3, Fmoc-l-lys[c20-otbu-l-glu(otbu)-aa-aa]-oh, Refchem:1085484, Tirzepatide sidechain, (25s,52s)-52-((((9h-fluoren-9-yl)methoxy)carbonyl)amino)-25-(tert-butoxycarbonyl)-2,2-dimethyl-4,23,28,37,46-pentaoxo-3,32,35,41,44-pentaoxa-24,29,38,47-tetraazatripentacontan-53-oic acid
    Molecular Formula
    C66H105N5O16
    Molecular Weight
    1224.6  g/mol
    InChI Key
    YWLOWAZATOAHDO-ATMVKLMESA-N
    FDA UNII
    628F25FNZ3
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[2-[2-[2-[[2-[2-[2-[[(4S)-5-[(2-methylpropan-2-yl)oxy]-4-[[20-[(2-methylpropan-2-yl)oxy]-20-oxoicosanoyl]amino]-5-oxopentanoyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]hexanoic acid
    2.1.2 InChI
    InChI=1S/C66H105N5O16/c1-65(2,3)86-61(76)35-22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-34-58(73)70-56(63(79)87-66(4,5)6)36-37-57(72)68-39-41-81-43-46-84-49-60(75)69-40-42-82-44-45-83-48-59(74)67-38-28-27-33-55(62(77)78)71-64(80)85-47-54-52-31-25-23-29-50(52)51-30-24-26-32-53(51)54/h23-26,29-32,54-56H,7-22,27-28,33-49H2,1-6H3,(H,67,74)(H,68,72)(H,69,75)(H,70,73)(H,71,80)(H,77,78)/t55-,56-/m0/s1
    2.1.3 InChI Key
    YWLOWAZATOAHDO-ATMVKLMESA-N
    2.2 Other Identifiers
    2.2.1 UNII
    628F25FNZ3
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2915356-76-0

    2. 628f25fnz3

    3. Fmoc-l-lys[c20-otbu-l-glu(otbu)-aa-aa]-oh

    4. Refchem:1085484

    5. Tirzepatide Sidechain

    6. (25s,52s)-52-((((9h-fluoren-9-yl)methoxy)carbonyl)amino)-25-(tert-butoxycarbonyl)-2,2-dimethyl-4,23,28,37,46-pentaoxo-3,32,35,41,44-pentaoxa-24,29,38,47-tetraazatripentacontan-53-oic Acid

    7. Fmoc-lys(c20-0tbu-glu (otbu)-aeeac-aeeac)-oh

    8. Schembl22289774

    9. Schembl30215718

    10. Schembl30951506

    11. Mfcd35612817

    12. Bp-44015

    13. H64645

    14. (2s)-2-(9h-fluoren-9-ylmethoxycarbonylamino)-6-[[2-[2-[2-[[2-[2-[2-[[(4s)-5-[(2-methylpropan-2-yl)oxy]-4-[[20-[(2-methylpropan-2-yl)oxy]-20-oxoicosanoyl]amino]-5-oxopentanoyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]hexanoic Acid

    15. 28,31,37,40,51-pentaoxa-20,25,34,43,49-pentaazadopentacontane-1,21,48-tricarboxylic Acid, 48-amino-52-(9h-fluoren-9-yl)-19,24,33,42,50-pentaoxo-, 1,21-bis(1,1-dimethylethyl), (21s,48s)-

    2.4 Create Date
    2020-09-28
    3 Chemical and Physical Properties
    Molecular Weight 1224.6 g/mol
    Molecular Formula C66H105N5O16
    XLogP310.8
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count16
    Rotatable Bond Count54
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area282
    Heavy Atom Count87
    Formal Charge0
    Complexity1940
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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