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    Immunoglobulin G 285-292

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    2D Structure
    Also known as: 160699-86-5, (2s)-2-[[(2s)-1-[(2s)-6-amino-2-[[(2s,3r)-2-[[(2s)-6-amino-2-[[(2s)-2-[[(2s)-4-amino-2-[[(2s)-2-amino-3-(1h-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid, 285-292 igg fragment, Immunoglobulin g (285-292)
    Molecular Formula
    C45H73N15O11
    Molecular Weight
    1000.2  g/mol
    InChI Key
    QOGYHWUWGYXQLU-HWGIBSKSSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
    2.1.2 InChI
    InChI=1S/C45H73N15O11/c1-24(54-40(66)33(22-35(49)62)58-38(64)28(48)21-26-23-53-29-12-4-3-11-27(26)29)37(63)55-30(13-5-7-17-46)39(65)59-36(25(2)61)42(68)56-31(14-6-8-18-47)43(69)60-20-10-16-34(60)41(67)57-32(44(70)71)15-9-19-52-45(50)51/h3-4,11-12,23-25,28,30-34,36,53,61H,5-10,13-22,46-48H2,1-2H3,(H2,49,62)(H,54,66)(H,55,63)(H,56,68)(H,57,67)(H,58,64)(H,59,65)(H,70,71)(H4,50,51,52)/t24-,25+,28-,30-,31-,32-,33-,34-,36-/m0/s1
    2.1.3 InChI Key
    QOGYHWUWGYXQLU-HWGIBSKSSA-N
    2.1.4 Canonical SMILES
    CC(C(C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C(CC(=O)N)NC(=O)C(CC2=CNC3=CC=CC=C32)N)O
    2.1.5 Isomeric SMILES
    C[C@H]([C@@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)N)O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 285-292 Igg Fragment

    2. Immunoglobulin G (285-292)

    3. Immunoglobulin G (285-292), Arg(285)

    4. Immunoglobulin G (285-292), Glu(285)

    5. Immunoglobulin G (285-292), Gly(285)

    6. Immunoglobulin G (285-292), His(285)

    7. Immunoglobulin G (285-292), Lys(285)

    2.2.2 Depositor-Supplied Synonyms

    1. 160699-86-5

    2. (2s)-2-[[(2s)-1-[(2s)-6-amino-2-[[(2s,3r)-2-[[(2s)-6-amino-2-[[(2s)-2-[[(2s)-4-amino-2-[[(2s)-2-amino-3-(1h-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic Acid

    3. 285-292 Igg Fragment

    4. Immunoglobulin G (285-292)

    2.3 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 1000.2 g/mol
    Molecular Formula C45H73N15O11
    XLogP3-6.6
    Hydrogen Bond Donor Count15
    Hydrogen Bond Acceptor Count15
    Rotatable Bond Count31
    Exact Mass999.56139820 g/mol
    Monoisotopic Mass999.56139820 g/mol
    Topological Polar Surface Area454 Ų
    Heavy Atom Count71
    Formal Charge0
    Complexity1860
    Isotope Atom Count0
    Defined Atom Stereocenter Count9
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1