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    3,4,3-Li(1,2-hopo)

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    2D Structure
    Also known as: 3,4,3-li(1,2-hopo), Unii-r6sml525fn, 110874-36-7, R6sml525fn, Kun74367, 2-pyridinecarboxamide, n,n'-1,4-butanediylbis(n-(3-(((1,6-dihydro-1-hydroxy-6-oxo-2-pyridinyl)carbonyl)amino)propyl)-1,6-dihydro-1-hydroxy-6-oxo-
    Molecular Formula
    C34H38N8O12
    Molecular Weight
    750.7  g/mol
    InChI Key
    KUWKQASGHNTJAT-UHFFFAOYSA-N
    FDA UNII
    R6SML525FN
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-hydroxy-N-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)-[4-[(1-hydroxy-6-oxopyridine-2-carbonyl)-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]amino]butyl]amino]propyl]-6-oxopyridine-2-carboxamide
    2.1.2 InChI
    InChI=1S/C34H38N8O12/c43-27-13-3-9-23(39(27)51)31(47)35-17-7-21-37(33(49)25-11-5-15-29(45)41(25)53)19-1-2-20-38(34(50)26-12-6-16-30(46)42(26)54)22-8-18-36-32(48)24-10-4-14-28(44)40(24)52/h3-6,9-16,51-54H,1-2,7-8,17-22H2,(H,35,47)(H,36,48)
    2.1.3 InChI Key
    KUWKQASGHNTJAT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=O)N(C(=C1)C(=O)NCCCN(CCCCN(CCCNC(=O)C2=CC=CC(=O)N2O)C(=O)C3=CC=CC(=O)N3O)C(=O)C4=CC=CC(=O)N4O)O
    2.2 Other Identifiers
    2.2.1 UNII
    R6SML525FN
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1,5,10,14-tetra(1-hydroxy-2-pyridon-6-oyl)-1,5,10,14-tetraazatetradecane

    2. 3,4,3-li(1,2-hopo)

    3. 3,4,3li(1,2-hopo)

    2.3.2 Depositor-Supplied Synonyms

    1. 3,4,3-li(1,2-hopo)

    2. Unii-r6sml525fn

    3. 110874-36-7

    4. R6sml525fn

    5. Kun74367

    6. 2-pyridinecarboxamide, N,n'-1,4-butanediylbis(n-(3-(((1,6-dihydro-1-hydroxy-6-oxo-2-pyridinyl)carbonyl)amino)propyl)-1,6-dihydro-1-hydroxy-6-oxo-

    7. N,n'-(butane-1,4-diyl)bis(1-hydroxy-n-(3-(1-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxamido)propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide)

    8. N,n'-butane-1,4-diylbis[1-hydroxy-n-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide]

    9. Chembl264485

    10. Schembl13531452

    11. Ex-a6322

    12. 1-hydroxy-n-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)-[4-[(1-hydroxy-6-oxopyridine-2-carbonyl)-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]amino]butyl]amino]propyl]-6-oxopyridine-2-carboxamide

    13. Q27287867

    14. 2,2',2'',2'''-(1,5,10,14-tetraazatetradecane-1,5,10,14-tetryltetrakiscarbonyl)tetrakis(6-hydroxypyridine 1-oxide)

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 750.7 g/mol
    Molecular Formula C34H38N8O12
    XLogP30.9
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count17
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area261
    Heavy Atom Count54
    Formal Charge0
    Complexity1690
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1