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PepSMI: Convert Peptide to SMILES string

1. Enter sequence (Input the raw sequence, not fasta format):

Full length:0

2. Select the Constraint Type of the peptide:



PepSMI converts Peptide sequence into SMILES string

Usage: This tool only accepts one letter code for 20 amino acids. And the sequence is case sensitive. Upper case denotes L-amino acids and lower case denotes D-type amino acids. Also, two special amino acdis could be accepted: L-Diaminopropionic Acid (one letter: J) and L-Ornithine (one letter: O).

The SMILES (Simplified Molecular Input Line Entry System) chemical notation system may be used to computationally assemble constrained peptides as a string of text, unambiguously describing each atom and bond in the molecule in a manner amenable to machine processing. The SMILES string can be used as a basis to generate 2D and 3D depictions of molecules, and several open-source and commercial packages exist with this capability.

The SMILES string could be viewed as 2D image at: http://cdb.ics.uci.edu/cgibin/Smi2DepictWeb.py and converted/viewed at: https://pubchem.ncbi.nlm.nih.gov/edit3/index.html