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  4. I want to create a structure in SMILES Manager

I want to create a structure in SMILES Manager

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  • T
    T
    Thanos
    wrote on last edited by
    #1

    Hi everyone!

    I am glad there is a forum :)

    I am trying to create a SMILE sentence for this formula:

    (CH3O(CH2CH2O)nCH2CH2)(CH3O(CH2CH2O)nCH2CO)NCH2CONHCH2CH2NHCOCH2CH2C4H4O2N

    It comes from this link:

    https://www.sigmaaldrich.com/catalog/product/aldrich/jka0002?lang=en&region=DK&cm_sp=Insite-_-prodRecCold_xviews-_-prodRecCold10-2

    Can someone translate it to a SMILE sentence?

    Do you know if there is a guide on how to formulate such sentences? What are the syntax rules?

    Kind regards,
    Thanos Pasias

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