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    Technical details about N5-(diaminomethylidene)ornithylprolylprolylglycylphenylalanylserylprolylphenylalanyl-N5-(diaminomethylidene)ornithine, learn more about the structure, uses, toxicity, action, side effects and more

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    N5-(diaminomethylidene)ornithylprolylprolylglycylphenylalanylserylprolylphenylalanyl-N5-(diaminomethylidene)ornithine

    ACTIVE PHARMA INGREDIENTS

    DIGITAL CONTENT

    REF. STANDARDS & IMPURITIES

    ANALYTICAL

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    2D Structure
    Also known as: Schembl7949679, Bcp27071, Ft-0688979, L024084
    Molecular Formula
    C50H73N15O11
    Molecular Weight
    1060.2  g/mol
    InChI Key
    QXZGBUJJYSLZLT-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[[2-[[1-[2-[[2-[[2-[[1-[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
    2.1.2 InChI
    InChI=1S/C50H73N15O11/c51-32(16-7-21-56-49(52)53)45(72)65-25-11-20-39(65)47(74)64-24-9-18-37(64)43(70)58-28-40(67)59-34(26-30-12-3-1-4-13-30)41(68)62-36(29-66)46(73)63-23-10-19-38(63)44(71)61-35(27-31-14-5-2-6-15-31)42(69)60-33(48(75)76)17-8-22-57-50(54)55/h1-6,12-15,32-39,66H,7-11,16-29,51H2,(H,58,70)(H,59,67)(H,60,69)(H,61,71)(H,62,68)(H,75,76)(H4,52,53,56)(H4,54,55,57)
    2.1.3 InChI Key
    QXZGBUJJYSLZLT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC(N(C1)C(=O)C2CCCN2C(=O)C(CCCN=C(N)N)N)C(=O)NCC(=O)NC(CC3=CC=CC=C3)C(=O)NC(CO)C(=O)N4CCCC4C(=O)NC(CC5=CC=CC=C5)C(=O)NC(CCCN=C(N)N)C(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Schembl7949679

    2. Bcp27071

    3. Ft-0688979

    4. L024084

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 1060.2 g/mol
    Molecular Formula C50H73N15O11
    XLogP3-4.8
    Hydrogen Bond Donor Count12
    Hydrogen Bond Acceptor Count14
    Rotatable Bond Count27
    Exact Mass1059.56139820 g/mol
    Monoisotopic Mass1059.56139820 g/mol
    Topological Polar Surface Area419 Ų
    Heavy Atom Count76
    Formal Charge0
    Complexity2080
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count8
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1