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    Copper Histidine

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
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    2D Structure
    Also known as: Copper bis(histidinate), 12561-67-0, Bishistidine copper(ii) salt, 9078k3mo9u, Copper, bis(l-histidinato-n,o)-, Copper histidinate
    Molecular Formula
    C12H16CuN6O4
    Molecular Weight
    371.84  g/mol
    InChI Key
    UUYDYUZBCIHUFZ-MDTVQASCSA-L
    FDA UNII
    9078K3MO9U
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    copper;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
    2.1.2 InChI
    InChI=1S/2C6H9N3O2.Cu/c2*7-5(6(10)11)1-4-2-8-3-9-4;/h2*2-3,5H,1,7H2,(H,8,9)(H,10,11);/q;;+2/p-2/t2*5-;/m00./s1
    2.1.3 InChI Key
    UUYDYUZBCIHUFZ-MDTVQASCSA-L
    2.1.4 Canonical SMILES
    C1=C(NC=N1)CC(C(=O)[O-])N.C1=C(NC=N1)CC(C(=O)[O-])N.[Cu+2]
    2.1.5 Isomeric SMILES
    C1=C(NC=N1)C[C@@H](C(=O)[O-])N.C1=C(NC=N1)C[C@@H](C(=O)[O-])N.[Cu+2]
    2.2 Other Identifiers
    2.2.1 UNII
    9078K3MO9U
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Copper Bis(histidinate)

    2. Copper Bis(histidinate), (l,trans)-isomer

    3. Copper Bis(histidinate), N,o(d)-isomer

    4. Copper Bis(histidinate), N,o(l)-isomer

    5. Copper Bishistidinate

    6. Cu(his)2

    7. Cu-his

    8. Histidine, Copper(1+) Salt (1:1)

    2.3.2 Depositor-Supplied Synonyms

    1. Copper Bis(histidinate)

    2. 12561-67-0

    3. Bishistidine Copper(ii) Salt

    4. 9078k3mo9u

    5. Copper, Bis(l-histidinato-n,o)-

    6. Copper Histidinate

    7. L-histidine, Copper(2+) Salt (2:1)

    8. Copper Bishistidinate

    9. Cu(his)2

    10. 13870-80-9

    11. L-histidine, Copper Complex

    12. Copper, Bis(l-histidinato)-

    13. Bis(l-histidinato-n,o)copper

    14. Schembl895831

    15. Unii-9078k3mo9u

    16. Dtxsid30154803

    17. Copper, Bis(l-histidinato-n,n3,o)-

    18. Copper, Bis(l-histidinato-kappan,kappao)-

    19. J1.412.545k

    20. Copper;(2s)-2-amino-3-(1h-imidazol-5-yl)propanoate

    21. Q27271298

    22. Copper, Bis(l-histidinato-.kappa.n,.kappa.o)-

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 371.84 g/mol
    Molecular Formula C12H16CuN6O4
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count4
    Exact Mass371.052900 g/mol
    Monoisotopic Mass371.052900 g/mol
    Topological Polar Surface Area190 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity145
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
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