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    Nikkomycin z

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Neopolyoxin c, Nikkomycin, 59456-70-1, 9z22c3qqcj, Chembl35306, Chebi:623918
    Molecular Formula
    C20H25N5O10
    Molecular Weight
    495.4  g/mol
    InChI Key
    WWJFFVUVFNBJTN-VHDFTHOZSA-N
    FDA UNII
    9Z22C3QQCJ
    Nikkomycin Z has been used in trials studying the treatment and basic science of Coccidioidomycosis.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-2-[[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino]-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
    2.1.2 InChI
    InChI=1S/C20H25N5O10/c1-7(13(28)9-3-2-8(26)6-22-9)11(21)17(31)24-12(19(32)33)16-14(29)15(30)18(35-16)25-5-4-10(27)23-20(25)34/h2-7,11-16,18,26,28-30H,21H2,1H3,(H,24,31)(H,32,33)(H,23,27,34)/t7-,11-,12-,13-,14-,15+,16+,18+/m0/s1
    2.1.3 InChI Key
    WWJFFVUVFNBJTN-VHDFTHOZSA-N
    2.1.4 Canonical SMILES
    CC(C(C1=NC=C(C=C1)O)O)C(C(=O)NC(C2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)N
    2.1.5 Isomeric SMILES
    C[C@H]([C@@H](C1=NC=C(C=C1)O)O)[C@@H](C(=O)N[C@@H]([C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)N
    2.2 Other Identifiers
    2.2.1 UNII
    9Z22C3QQCJ
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Neopolyoxin C

    2. Nikkomycin

    2.3.2 Depositor-Supplied Synonyms

    1. Neopolyoxin C

    2. Nikkomycin

    3. 59456-70-1

    4. 9z22c3qqcj

    5. Chembl35306

    6. Chebi:623918

    7. (2s)-2-[[(2s,3s,4s)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino]-2-[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic Acid

    8. (2r)-2-[[(2s,3s,4s)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino]-2-[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic Acid

    9. (2s)-{[(2s,3s,4s)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino}-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-beta-d-allo-furanuronic Acid

    10. (2s)-{[(2s,3s,4s)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino}[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxyoxolan-2-yl]acetic Acid (non-preferred Name)

    11. (2s)-{[(2s,3s,4s)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino}[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]acetic Acid

    12. .beta.-d-allofuranuronic Acid, 5-[[(2s,3s,4s)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methyl-1-oxobutyl]amino]-1,5-dideoxy-1-(3,4-dihydro-2,4-dioxo-1(2h)-pyrimidinyl)-

    13. Unii-9z22c3qqcj

    14. Nikkomicin

    15. Nikkomycin Z From Streptomyces Tendae

    16. Nsc-601906

    17. .beta.-d-allofuranuronic Acid, 5-(((2s,3s,4s)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methyl-1-oxobutyl)amino)-1,5-dideoxy-1-(3,4-dihydro-2,4-dioxo-1(2h)-pyrimidinyl)-

    18. Bgi

    19. Nsc 601906

    20. Brn 0873216

    21. Bdbm50089541

    22. Db12939

    23. Hy-19593

    24. Cs-0015875

    25. Q61718271

    26. (2s)-2-[[(2s,3s,4s)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridyl)-3-methyl-butanoyl]amino]-2-[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]acetic Acid

    27. (r)-[(s)-(2s,3s,4s)-2-amino-4-hydroxy-4-(5-hydroxy-pyridin-2-yl)-3-methyl-butyrylamino]-[(3s,4r,5r)-5-(2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-yl]-acetic Acid

    28. (s)-[(2r,3r,4r)-2-amino-4-hydroxy-4-(5-hydroxy-pyridin-2-yl)-3-methyl-butyrylamino]-[(s)-5-(2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-yl]-acetic Acid

    29. (s)-[(2s,3s,4s)-2-amino-4-hydroxy-4-(5-hydroxy-pyridin-2-yl)-3-methyl-butyrylamino]-[(2r,3r,5r)-5-(2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-yl]-acetic Acid

    30. (s)-[(2s,3s,4s)-2-amino-4-hydroxy-4-(5-hydroxy-pyridin-2-yl)-3-methyl-butyrylamino]-[5-(2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-yl]-acetic Acid

    31. (s)-2-((2s,3s,4s)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanamido)-2-((2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl)acetic Acid

    32. [(s)-(2s,3s,4s)-2-amino-4-hydroxy-4-(5-hydroxy-pyridin-2-yl)-3-methyl-butyrylamino]-[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-yl]-acetic Acid

    33. [(s)-2-amino-4-hydroxy-4-((1s,2s)-5-hydroxy-pyridin-2-yl)-3-methyl-butyrylamino]-[5-(2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-yl]-acetic Acid

    34. [2-amino-4-hydroxy-4-(5-hydroxy-pyridin-2-yl)-3-methyl-butyrylamino]-[5-(2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-yl]-acetic Acid(nikkomycin Z)

    35. Beta-d-allofuranuronic Acid, 5-((2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methyl-1-oxobutyl)amino)-1,5-dideoxy-1-(3,4-dihydro-2,4-dioxo-1(2h)-pyrimidinyl)-, (2s-(2r*,3r*,4r*))-

    36. Nz

    2.4 Create Date
    2005-08-01
    3 Chemical and Physical Properties
    Molecular Weight 495.4 g/mol
    Molecular Formula C20H25N5O10
    XLogP3-5.6
    Hydrogen Bond Donor Count8
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count8
    Exact Mass495.16014201 g/mol
    Monoisotopic Mass495.16014201 g/mol
    Topological Polar Surface Area245 Ų
    Heavy Atom Count35
    Formal Charge0
    Complexity871
    Isotope Atom Count0
    Defined Atom Stereocenter Count8
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Enzyme Inhibitors

    Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)

    Antifungal Agents

    Substances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues. (See all compounds classified as Antifungal Agents.)