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    Interferon Beta(103-115)[Human]

    FINISHED DOSAGE FORMULATIONS

    GLOBAL SALES INFORMATION

    PharmaCompass
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    2D Structure
    Also known as:
    Molecular Formula
    C74H115N19O25
    Molecular Weight
    1670.8  g/mol
    InChI Key
    XXPOEMMDUFELJX-UNXHKMKHSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-4-carboxy-1-hydroxybutylidene]amino]-4-carboxy-1-hydroxybutylidene]amino]-1-hydroxyhexylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-4-carboxy-1-hydroxybutylidene]amino]-1-hydroxyhexylidene]amino]-4-carboxy-1-hydroxybutylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxyethylidene]amino]hexanoic acid
    2.1.2 InChI
    InChI=1S/C74H115N19O25/c1-40(2)35-52(90-65(109)47(16-7-10-32-76)87-66(110)48(24-28-58(98)99)84-62(106)44(78)23-27-57(96)97)69(113)89-49(25-29-59(100)101)67(111)86-46(15-6-9-31-75)64(108)88-50(26-30-60(102)103)68(112)93-55(38-61(104)105)72(116)92-53(36-41-13-4-3-5-14-41)71(115)91-54(37-42-19-21-43(94)22-20-42)70(114)85-45(18-12-34-81-74(79)80)63(107)82-39-56(95)83-51(73(117)118)17-8-11-33-77/h3-5,13-14,19-22,40,44-55,94H,6-12,15-18,23-39,75-78H2,1-2H3,(H,82,107)(H,83,95)(H,84,106)(H,85,114)(H,86,111)(H,87,110)(H,88,108)(H,89,113)(H,90,109)(H,91,115)(H,92,116)(H,93,112)(H,96,97)(H,98,99)(H,100,101)(H,102,103)(H,104,105)(H,117,118)(H4,79,80,81)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-/m0/s1
    2.1.3 InChI Key
    XXPOEMMDUFELJX-UNXHKMKHSA-N
    2.1.4 Canonical SMILES
    CC(C)CC(C(=NC(CCC(=O)O)C(=NC(CCCCN)C(=NC(CCC(=O)O)C(=NC(CC(=O)O)C(=NC(CC1=CC=CC=C1)C(=NC(CC2=CC=C(C=C2)O)C(=NC(CCCNC(=N)N)C(=NCC(=NC(CCCCN)C(=O)O)O)O)O)O)O)O)O)O)O)N=C(C(CCCCN)N=C(C(CCC(=O)O)N=C(C(CCC(=O)O)N)O)O)O
    2.1.5 Isomeric SMILES
    CC(C)C[C@@H](C(=N[C@@H](CCC(=O)O)C(=N[C@@H](CCCCN)C(=N[C@@H](CCC(=O)O)C(=N[C@@H](CC(=O)O)C(=N[C@@H](CC1=CC=CC=C1)C(=N[C@@H](CC2=CC=C(C=C2)O)C(=N[C@@H](CCCNC(=N)N)C(=NCC(=N[C@@H](CCCCN)C(=O)O)O)O)O)O)O)O)O)O)O)N=C([C@H](CCCCN)N=C([C@H](CCC(=O)O)N=C([C@H](CCC(=O)O)N)O)O)O
    2.2 Create Date
    2015-12-18
    3 Chemical and Physical Properties
    Molecular Weight 1670.8 g/mol
    Molecular Formula C74H115N19O25
    XLogP3-7.2
    Hydrogen Bond Donor Count26
    Hydrogen Bond Acceptor Count42
    Rotatable Bond Count62
    Exact Mass1669.83115023 g/mol
    Monoisotopic Mass1669.83115023 g/mol
    Topological Polar Surface Area801 Ų
    Heavy Atom Count118
    Formal Charge0
    Complexity3540
    Isotope Atom Count0
    Defined Atom Stereocenter Count12
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1