ACD/Name

Generate Structure from Name (ACD/Name to Structure)

What's New

Version 5.0 to 6.0

1. Spiro compounds with polycyclic components
2. α-Amino acids, peptides, and derivatives
3. Polysaccharides
4. Relative stereodescriptors
5. Newly supported functional groups
6. Expanded ACD/Dictionary!

New Features in Illustrated Detail

1. Spiro compounds with polycyclic components

Spiro compounds with polycyclic components form an important subset of pharmaceutical compounds. The newest version of ACD/Name to Structure can generate structures for systematic names of polyspiro compounds with polycyclic components. In previous versions, it refused to name all such structures.

For example:

(2S,6'R)-7-chloro-2',4,6-trimethoxy-6'-methyl-3H,4'H-spiro[1- benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione

3H-dispiro[1-benzofuran-2,1'-cyclohex[2]ene-4',2''-indole]

2. -Amino acids, peptides, and derivatives

Now the names of various derivatives of common a-amino acids and peptides can be processed.

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

β-alaninamide, L-tyrosyl-D-arginyl-L-phenylalanyl-

3. Polysaccharides

Various names of parent carbohydrates and their derivatives can be converted into structures. Now, the names of the polysaccharides created in accordance with IUPAC and IUBMB recommendations can be handled.

For example:

2-chloro-2-deoxy-4-O-α-D-idofuranosyl-β-D-gulopyranose

methyl α-D-glucopyranosyl-(1→3)-β-D-glucopyranosyl-(1→4)-β-D-mannopyranoside

4. Relative stereodescriptors

The current version of ACD/Name to Structure can treat some relative descriptors:

• endo/exo, syn/anti for stereo centers in bicyclic systems;
• cis/trans for cyclic structures having two stereogenic atoms and for rings with 8 and fewer members; and
• c/t/r for substituted cyclic structures.

For example:

Norbornane, 2,7-dibromo-, exo-syn-

2H-Furo[3,2-b]pyran-2-one, hexahydro-, cis-

r-1,t-2,c-4-Trichlorocyclopentane

5. Newly supported functional groups

ACD/Name to Structure recognizes the names of most general functional groups created in accordance with IUPAC recommendations on Nomenclature of Organic Chemistry. In addition, the current version can handle the names of acetals, ketals, hemiacetals, hemiketals, ketoximes, aldoximes, and anilides.

For example:

Cyclohexanecarboxanilide

2-pyridinecarbaldoxime

6. Expanded ACD/Dictionary!

When incorporated with ACD/Dictionary, the power of Name to Structure is unleashed to its fullest! ACD/Dictionary is a program that finds chemical structures according to their chemical name, systematic or alternative (trivial). The chemical name can also be a common abbreviation, a trademark, or registry number. Release 6.0 of Dictionary includes over 90,000 entries, adding greatly to the functionality of Name to Structure!