[ SMILES NOTATION ]

Simplified Molecular-Input Line-Entry System 

It is a specification in form of a line notation for describing the structure of chemical species using short ASCII strings  that can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the molecules.

In July 2006, the IUPAC introduced the InChI as a standard for formula representation. SMILES is generally considered to have the advantage of being slightly more human-readable than InChI. It also has a wide base of software support with extensive theoretical backing.

The term SMILES refers to a line notation for encoding molecular structures and specific instances should strictly be called SMILES strings. However, the term SMILES is also commonly used to refer to both a single SMILES string and a number of SMILES strings which are the exact meaning is usually apparent from the context.

FOR EXAMPLE…

CATEGORY	DESCRIPTION
ATOMS	Atoms are represented by the standard abbreviation of the chemical elements, in square brackets, such as [Au] for gold.           An atom holding one or more electrical charges is enclosed in brackets. For hydrogen, followed by the symbol H if it is bonded to one or more atoms, followed by the number of hydrogen atoms as           Then, followed  by the sign '+' for a positive charge or by '-' for a negative charge in the same brackets.
BONDS	Bonds between aliphatic atoms are assumed to be single           Double, triple, and quadruple bonds are represented by the symbols '=', '#', and '$' respectively as illustrated by the SMILES :      O=C=O (carbon dioxide),      C#N (hydrogen cyanide)      [Ga-]$[As+] (gallium arsenide).           Ring closure labels are used to indicate connectivity between non-adjacent atoms in the SMILES string,
STEREOCHEMISTRY	Configuration around double bonds is specified using the characters "/" and "\"           For example, F/C=C/F (see depiction) is one representation of trans-difluoroethene, in which the fluorine atoms are on opposite sides of the double bond,

NOT  JUST A SIMPLE SMILE RITE...CHILL!!

SMILE + CHEMSKETCH - Tutorial on how to draw bicyclohexane

STEP 1	First access the chemsketch software. We will get a drawing page open. Now we can start drawing the bicyclohexane structure.
STEP 2	Make sure you’re in structure mode. Click on the right hand side of the drawing page on the benzene ring and then click back on the drawing page to get the stricture of benzene ring.
STEP 3	Again then click a little far from the previous ring to get a second benzene ring and you will get exactly the same as in picture above.

STEP 4	Change the structure mode to drawing mode
STEP 5	Select and click on the Tool.
STEP 6	Next, You will find Generate and click.
STEP 7	Go to SMILES notation and click.

And finally we're done with the tutorial. Easy right? For more info, you can check it out at 

More info about SMILES

AZOBENZENE Tutorial By using Chemsketch

STEP 1: First access the chemsketch software. We will get a drawing page open. Now we start drawing azobenzene structure.

STEP 2: Now click on the right hand side of the drawing page on the benzene ring and then click back on the drawing page to get the stricture of benzene ring.

 STEP 3: Again then click a little far from the previous ring to get a second benzene ring.

STEP 4: Now click on the left hand side of the drawing page and click on the NH 2 group. Then click back on the C1 of the first benzene ring, drag a little to form the bond and leave to place NH 2 group.

STEP 5: Now click back again on the NH 2 group and then click on the previous NH 2 group on the drawing page and drag a little to form the bond and add another NH 2 group.

STEP 6: Now click on the single bond icon on the top of drawing page and click back on the second attach NH 2 group and drag a little to join the C5 of the second benzene ring.

STEP 7: Now again click on the single bond icon and click back on the bond between the two NH to form a double bond.

Now first select the structure then click on the ‘Tool’ icon and then click on the ‘clean structure’ options

Now again select click on the ‘Tool’ icon and then click on the ‘3d Structure optimization’

Now again select& click on the ‘tool’ icon &then click on the ‘generate’ icon &then click on the ‘name for structure’

Now again click on ‘tool’ icon go to ‘generate’ and click on the ‘smiles notation’ icon

Finally this is the structure of  AZOBENZENE

TRYPSIN & PEPSIN

TRYPSIN

Trypsin is a  serine protease Superfamily ,  found in the digestive sytem  of many vertebrates,  where it  hydrolyse protein. Trypsin is produced in the pancrease  as the inactive prortease trypsinogen. Trypsin cleaves peptide chains mainly at the carboxyl side of the amino acid lysine or arginine. except when either is followed by proline .It is used for numerous biotechnological processes. The process is commonly referred to as trypsin proteolysis or trypsinisation, and proteins that have been digested/treated with trypsin are said to have been trypsinized.

	classification Hydrolase (o Glycosyl) weight 56303.59 molecule ALPHA-AMYLASE polymer 1 chain A organism Sus scrofa Gene name AMY2 Type protein Length 496

PEPSIN Pepsin is one of three principal protein-degrading, or proteolytic, enzymes in the digestive system, the other two being chymotrypsin and trypsin. The three enzymes were among the first to be isolated in crystalline form. During the process of digestion, these enzymes, each of which is specialized in severing links between particular types of amino acids, collaborate to break down dietary proteins into their components, i.e., peptides and amino acids, which can be readily absorbed by the intestinal lining. Pepsin is most efficient in cleaving peptide bonds between hydrophobic and preferably aromatic amino acids such as phenylalanine, tryptophan, and tyrosine.

classification Hydrolase/hydrolase Inhibitor weight 35385.97 molecule PEPSIN 3A polymer 1 chain E organism Homo sapiens Type protein Length 326