ACD/Name

What's New

Version 4.0 to 4.5

1. Name to Structure Conversion
2. α-Amino acids, Peptides and Derivatives
3. Assemblies of Cyclic Systems
4. Bridged fused Systems
5. Polysaccharides
6. Additional Preferences

New Features in Illustrated Detail

1. Name to Structure conversion

ACD/Name to Structure module allows to generate chemical structures for various systematic, semisystematic and trivial names. For example, for p-Nitroaniline-o-sulfonic acid the following structure is generated

For this structure the correct IUPAC name can be generated:

2-amino-5-nitrobenzenesulfonic acid

2. -Amino acids, Peptides and Derivatives

Now various derivatives of common α-amino acids and peptide can be named.

ethyl (5S,6S)-N²-acetyl-5-methyl-N⁶-phenyl-6-(trifluoromethyl)-L-lysinate hydrochloride

(4R,5S)-4-methyl-5-phenyl-D-prolyl-L-valyl-D-cysteinyl-L-alanine

3. Assemblies of Cyclic Systems

Unbranched assemblies of cyclic systems with up to ten components can be named

2,2'-dihydroxy-1H,1'H-2,2'-biindene-1,1',3,3'(2H,2'H)-tetrone

2,2':6',2''-terpyridine-4,4''(1H,1''H)-dione

4. Bridged fused systems

Bridged fused systems with two bivalent or single unbranched acyclic trivalent bridges can be named.

7,8,9,10-tetrahydro-1,4-epoxy-7,10-(epoxymethano)cycloocta[b]acridine

5,10-dihydro-7,10-ethanopyrano[2',3',4':4,5]naphtho[1,8-fg]quinolin-4(2H)-one

5. Polysaccharides

Now various polysaccharides and their derivatives can be named:

Ethyl -D-arabinopyranosyl-(1→3)-4-deoxy-α-L-xylo-hexopyranosyl- (1→3)-2-(acetylamino)-2-deoxy--D-gulopyranoside

6. Additional preferences

In 4.5 version user can specify three additional options to control the name generation and display:

1. to set time limit for name generation. If this option is chosen name generation will be stopped after expiration of specified time and the message "Elapsed time exceeded the specified time limit!"
2. to set the citation order of component names for polycomponent structures. User can choose between chemical class and molecular formula seniority. For example:

   
   1,4-diazabicyclo[2.2.2]octane compound with dichloroacetic acid (1:1)
   or
   dichloroacetic acid compound with 1,4-diazabicyclo[2.2.2]octane (1:1)

3. to place generated names directly in ChemSketch window.