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2D Structure
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

1 2D Structure

2D Structure

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