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    Technical details about Transferrin Fragment, learn more about the structure, uses, toxicity, action, side effects and more

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    Transferrin Fragment

    ACTIVE PHARMA INGREDIENTS

    DIGITAL CONTENT

    ANALYTICAL

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    2D Structure
    Also known as:
    Molecular Formula
    C75H121N23O28S
    Molecular Weight
    1825.0  g/mol
    InChI Key
    MAAMCHVQLWJBKY-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[[2-[[5-amino-2-[[2-[[2-[[2-(2-aminopropanoylamino)-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[1-[[1-[[1-[[1-[[1-[[4-amino-1-[[1-[(4-carbamimidamido-1-carboxybutyl)amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
    2.1.2 InChI
    InChI=1S/C75H121N23O28S/c1-32(2)23-43(63(115)91-45(25-34(5)6)65(117)97-51(31-127)71(123)92-44(24-33(3)4)64(116)96-50(30-57(109)110)69(121)94-47(27-53(78)102)70(122)98-58(36(8)99)72(124)88-42(73(125)126)12-10-22-84-75(81)82)90-62(114)41(18-20-54(103)104)87-66(118)46(26-37-13-15-38(100)16-14-37)93-61(113)40(17-19-52(77)101)86-68(120)49(29-56(107)108)95-60(112)39(11-9-21-83-74(79)80)85-67(119)48(28-55(105)106)89-59(111)35(7)76/h13-16,32-36,39-51,58,99-100,127H,9-12,17-31,76H2,1-8H3,(H2,77,101)(H2,78,102)(H,85,119)(H,86,120)(H,87,118)(H,88,124)(H,89,111)(H,90,114)(H,91,115)(H,92,123)(H,93,113)(H,94,121)(H,95,112)(H,96,116)(H,97,117)(H,98,122)(H,103,104)(H,105,106)(H,107,108)(H,109,110)(H,125,126)(H4,79,80,83)(H4,81,82,84)
    2.1.3 InChI Key
    MAAMCHVQLWJBKY-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CS)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)N)C(=O)NC(C(C)O)C(=O)NC(CCCNC(=N)N)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(=O)O)NC(=O)C(C)N
    2.2 Create Date
    2013-06-02
    3 Chemical and Physical Properties
    Molecular Weight 1825.0 g/mol
    Molecular Formula C75H121N23O28S
    XLogP3-9.5
    Hydrogen Bond Donor Count31
    Hydrogen Bond Acceptor Count32
    Rotatable Bond Count63
    Exact Mass1823.8472115 g/mol
    Monoisotopic Mass1823.8472115 g/mol
    Topological Polar Surface Area871 Ų
    Heavy Atom Count127
    Formal Charge0
    Complexity3870
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count16
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1