What's New in ACD/Name and ACD/Name to Structure

Version 2017.1

ACD/Name

  • Support for naming peptide sequences represented with one- or three-letter codes for amino acids
  • H—G   A   a   L   E   N—O—t-Bu
    H—Gly   Ala   ala   Leu   Glu   Asn—O—t-Bu
    Biotools now available for creating sequences using one or three letter codes

    IUPAC Name:  tert-butyl glycyl-L-alanyl-D-alanyl-L-leucyl-L-a-glutamyl-L-asparaginate
  • Generate names for structures with "neutral carbonyl" ligands
  • Generate names for structures with 'neutral carbonyl' ligands

    A) tetracarbonylnickel
    Generate names for structures with 'neutral carbonyl' ligands

    B) tetracarbonylnickel
    Generate names for structures with 'neutral carbonyl' ligands

    C) tetracarbonylnickel

    A) structure with neutral carbonyl ligand; B) and C) charged carbonyl ligands; previously required in order to generate the correct name
  • Generate names for metal hydrides in covalent or ionic form
  • Generate names for metal hydrides in covalent or ionic form

    calcium dihydride
    (covalent form)
    Generate names for metal hydrides in covalent or ionic form

    calcium dihydride
    (ionic form)
  • Expansion of naming abilities for structure with multiple equal components
    • Both explicitly drawn and multiple group representation will generate the same name
  • Expansion of naming abilities for structure with multiple equal components

    zinc sulfate—water (1/1/7)
    (explicitly drawn groups)
    Expansion of naming abilities for structure with multiple equal components

    zinc sulfate—water (1/1/7)
    (multiple group representation)

ACD/Name to Structure

  • Improved structure generation from binary names
    • Added structure generation from non-metal binary names
    • Improved structure generation from binary names for metallic derivatives

Click to expandVersion 2015 to Version 2016.1

Click to expandView What's New in the previous version