ACD/Name

Generate Structure from Name (ACD/Name to Structure)

What's New

Version 7.0 to 8.0

1. Generate structures for systematic names of cyclic peptides
2. Convert names of natural compounds with epoxy-modifiers into structures
3. Expanded possibilities to treat trivial and semisystematic names
4. Produce polymer structures from names

1. Cyclic peptides

The newest version of ACD/Name to Structure can generate structures for systematic names of cyclic peptides created in accordance with IUPAC and CAS Index rules. In previous versions, such names were refused.

For example:

cyclo(arginylserylleucyl-α-aspartyl)

cyclo(L-arginyl-L-isoleucyl-L-phenylalanyl-D-seryl)

2. Convert names of natural components with epoxy-modifiers into structures

The current version of ACD/Name to Structure can treat names of natural compounds with epoxy-modifiers:

(6α,7α)-6,7-epoxypregnane or pregnane, 6,7-epoxy-, (6α,7α)-

(5)-4,5-epoxymorphinan morphinan, 4,5-epoxy-, (5)-

3. Expanded possibilities to treat trivial and semisystematic names

The new version of ACD/Name to Structure treats more trivial and semisystematic names due to the updated ACD/Dictionary, which now contains ~17,000 more trivial names, registry numbers, and other names.

For example:

dexpemedolac hydrochloride	sulfisoxazole diolamine
Warning: Derivative of ACD/Dictionary structure	Warning: Structure taken from ACD/Dictionary

4. Produce polymer structures from names

Create polymer structures from names with the new version of ACD/Name to Structure. Many of the most common polymer names can be treated along with some types of systematic structure-based names.

For example:

poly[1-isopropyl-2-(methoxycarbonyl)-2,1-ethanediyl]	Poly(1,2-epoxycyclohexane)