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    Technical details about CAS 137088-65-4, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 137088-65-4

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 134203-48-8, (2z)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]acetic acid, Schembl2489506, Dtxsid30855702, (2e)-{2-[(tert-butoxycarbonyl)amino]-1,3-thiazol-4-yl}{[(1-tert-butoxy-2-methyl-1-oxopropan-2-yl)oxy]imino}acetic acid, (z)-2-(((1-(tert-butoxy)-2-methyl-1-oxopropan-2-yl)oxy)imino)-2-(2-((tert-butoxycarbonyl)amino)thiazol-4-yl)acetic acid
    Molecular Formula
    C18H27N3O7S
    Molecular Weight
    429.5  g/mol
    InChI Key
    ANFLTTZTVMOFFU-NHDPSOOVSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2Z)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]acetic acid
    2.1.2 InChI
    InChI=1S/C18H27N3O7S/c1-16(2,3)26-13(24)18(7,8)28-21-11(12(22)23)10-9-29-14(19-10)20-15(25)27-17(4,5)6/h9H,1-8H3,(H,22,23)(H,19,20,25)/b21-11-
    2.1.3 InChI Key
    ANFLTTZTVMOFFU-NHDPSOOVSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)OC(=O)C(C)(C)ON=C(C1=CSC(=N1)NC(=O)OC(C)(C)C)C(=O)O
    2.1.5 Isomeric SMILES
    CC(C)(C)OC(=O)C(C)(C)O/N=C(/C1=CSC(=N1)NC(=O)OC(C)(C)C)\C(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 134203-48-8

    2. (2z)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]acetic Acid

    3. Schembl2489506

    4. Dtxsid30855702

    5. (2e)-{2-[(tert-butoxycarbonyl)amino]-1,3-thiazol-4-yl}{[(1-tert-butoxy-2-methyl-1-oxopropan-2-yl)oxy]imino}acetic Acid

    6. (z)-2-(((1-(tert-butoxy)-2-methyl-1-oxopropan-2-yl)oxy)imino)-2-(2-((tert-butoxycarbonyl)amino)thiazol-4-yl)acetic Acid

    7. 2-(((1-(tert-butoxy)-2-methyl-1-oxopropan-2-yl)oxy)imino)-2-(2-((tert-butoxycarbonyl)amino)thiazol-4-yl)aceticacid

    8. 2-({[1-(tert-butoxy)-2-methyl-1-oxopropan-2-yl]oxy}imino)-2-(2-{[(tert-butoxy)carbonyl]amino}-1,3-thiazol-4-yl)acetic Acid

    9. F97330

    10. A887946

    2.3 Create Date
    2007-12-04
    3 Chemical and Physical Properties
    Molecular Weight 429.5 g/mol
    Molecular Formula C18H27N3O7S
    XLogP33.7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count10
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area165
    Heavy Atom Count29
    Formal Charge0
    Complexity665
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1