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    Chemistry

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    Also known as: 144703-90-2, Type 11 collagen, Mfcd32666130, Fc108481, Collagen type ii fragment trifluoroacetate salt
    Molecular Formula
    C108H175F3N32O39
    Molecular Weight
    2602.7  g/mol
    InChI Key
    GRTWWWMAATWZSC-ABQYEADXSA-N
    Collagen Type II
    1 2D Structure

    Collagen Type II

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-6-amino-2-[[(2S)-1-[2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[2-[[(2S,4R)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[2-[[(2S)-6-amino-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-1-[2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]propanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]acetyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]hexanoic acid;2,2,2-trifluoroacetic acid
    2.1.2 InChI
    InChI=1S/C106H174N32O37.C2HF3O2/c1-53(2)40-67(92(160)116-44-77(145)122-55(5)105(173)138-52-58(141)42-73(138)99(167)117-47-81(149)126-69(43-76(112)144)98(166)127-60(18-8-11-33-107)89(157)114-46-79(147)124-64(27-31-85(153)154)95(163)128-62(25-29-74(110)142)91(159)119-49-82(150)136-38-16-23-71(136)101(169)130-66(106(174)175)20-10-13-35-109)131-96(164)65(28-32-86(155)156)125-80(148)48-118-103(171)87(56(6)139)134-97(165)63(26-30-75(111)143)123-78(146)45-115-90(158)61(19-9-12-34-108)129-100(168)70-22-15-37-135(70)83(151)50-120-93(161)68(41-54(3)4)132-102(170)72-24-17-39-137(72)84(152)51-121-104(172)88(57(7)140)133-94(162)59-21-14-36-113-59;3-2(4,5)1(6)7/h53-73,87-88,113,139-141H,8-52,107-109H2,1-7H3,(H2,110,142)(H2,111,143)(H2,112,144)(H,114,157)(H,115,158)(H,116,160)(H,117,167)(H,118,171)(H,119,159)(H,120,161)(H,121,172)(H,122,145)(H,123,146)(H,124,147)(H,125,148)(H,126,149)(H,127,166)(H,128,163)(H,129,168)(H,130,169)(H,131,164)(H,132,170)(H,133,162)(H,134,165)(H,153,154)(H,155,156)(H,174,175);(H,6,7)/t55-,56+,57+,58+,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,87-,88-;/m0./s1
    2.1.3 InChI Key
    GRTWWWMAATWZSC-ABQYEADXSA-N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 144703-90-2

    2. Type 11 Collagen

    3. Mfcd32666130

    4. Fc108481

    5. Collagen Type Ii Fragment Trifluoroacetate Salt

    2.3 Create Date
    2019-12-31
    3 Chemical and Physical Properties
    Molecular Weight 2602.7 g/mol
    Molecular Formula C108H175F3N32O39
    Hydrogen Bond Donor Count35
    Hydrogen Bond Acceptor Count46
    Rotatable Bond Count79
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area1120
    Heavy Atom Count182
    Formal Charge0
    Complexity5790
    Isotope Atom Count0
    Defined Atom Stereocenter Count21
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

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