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    2D Structure
    Also known as:
    Molecular Formula
    C101H152N14O27
    Molecular Weight
    1994.4  g/mol
    InChI Key
    ZTHJLYVWKNLZAD-QZPNKMJMSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-2-[[(3S)-2-[(2R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(hexadecanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]acetyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-3-hydroxypropanoic acid
    2.1.2 InChI
    InChI=1S/C101H152N14O27/c1-5-6-7-8-9-10-11-12-13-14-15-16-23-34-88(120)103-42-45-136-47-49-138-51-53-140-55-57-142-59-58-141-56-54-139-52-50-137-48-46-135-44-41-89(121)104-65-90(122)105-66-91(123)107-79(63-74-35-37-77(118)38-36-74)94(126)110-81(62-73-29-21-18-22-30-73)95(127)111-82(60-70(2)3)100(132)114-43-26-33-85(114)97(129)112-83(68-116)96(128)108-78(39-40-87(102)119)92(124)109-80(61-72-27-19-17-20-28-72)93(125)106-71(4)99(131)115-67-76-32-25-24-31-75(76)64-86(115)98(130)113-84(69-117)101(133)134/h17-22,24-25,27-32,35-38,70-71,78-86,116-118H,5-16,23,26,33-34,39-69H2,1-4H3,(H2,102,119)(H,103,120)(H,104,121)(H,105,122)(H,106,125)(H,107,123)(H,108,128)(H,109,124)(H,110,126)(H,111,127)(H,112,129)(H,113,130)(H,133,134)/t71-,78+,79-,80+,81+,82+,83-,84+,85+,86+/m1/s1
    2.1.3 InChI Key
    ZTHJLYVWKNLZAD-QZPNKMJMSA-N
    2.2 Create Date
    2025-04-24
    3 Chemical and Physical Properties
    Molecular Weight 1994.4 g/mol
    Molecular Formula C101H152N14O27
    XLogP35.5
    Hydrogen Bond Donor Count16
    Hydrogen Bond Acceptor Count27
    Rotatable Bond Count76
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area576
    Heavy Atom Count142
    Formal Charge0
    Complexity3710
    Isotope Atom Count0
    Defined Atom Stereocenter Count10
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1