18 December, 2012

Chem Sketch is Amazing Software

Assalamualaikum wbr...

"Chem Sketch"...??

Truthfully, we never heard this term before until Dr Linda teach us about this awesome software. I think there is no software to sketch the chemical structure of compound but luckily it is exist.

First of all, the definition of Chem Sketch is an application that created to ease our work on the chemistry field, especially in Organic Chemistry.

There are so many functions that provide by the application. The most basic function is to sketch the molecular structures, most of it are skeleton type of molecular structures. We can also use it to generate SMILES and get information about molecules etc.

As what we  learned on the class, we have to finish our task which is to draw the molecular structures. Even though the drawing is too complex, we succeed to finish and completed them by using Chem Sketch as shown below. 

Figure 1


Figure 2


Figure 3


Figure 4


Figure 5

Figure 6

How amazing our drawing..?? Awesome right. Hehe Fortunately we have software which is Chem Sketch to help us sketch the structure beautifully. 

After that, we had learned about the SMILES. This term is stand for 'Simplified Molecular Input Line Entry System'

SMILES is the specification in form of a line notation for describing the structure of chemical molecules using short ASCII string.

SMILES strings can be imported most molecules editor for conversion back to two dimensional (2D) drawing or three dimensional (3D) model of the molecules.  

Here the SMILES notation about the structure molecules we had drew above.
Molecules
S.M.I.L.E
Figure 1
OP(=O)(OC1C[C@H](O)O[C@@H]1COP(=O)(O)O)OC[C@H]2O[C@H](CC2O)N3C=C(C)C(=O)NC3=O
Figure 2
OP(=O)(OC1C[C@H](O)O[C@@H]1COP(=O)(O)O)OC[C@H]2O[C@H](CC2O)n4cnc3c4N=C(N)NC3=O
Figure 3
OP(=O)(OC1C[C@H](O)O[C@@H]1COP(=O)(O)O)OC[C@H]2O[C@H](CC2O)N3C=CC(N)=NC3=O
Figure 4
OP(=O)(OC1C[C@H](O)O[C@@H]1COP(=O)(O)O)OC[C@H]2O[C@H](CC2O)n4cnc3c(N)ncnc34
Figure 5
OP(=O)(OC1C[C@H](O)O[C@@H]1COP(=O)(O)O)OC[C@H]2O[C@@H](O)CC2O
Figure 6
O[C@@H]2[C@H](COC[C@@H]1OC(CO)[C@@H](O)C(O)[C@@H]1O)C(CO)O[C@@H](O)C2O


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