Biochemical representation converter

Amino-acid sequence ⇄ peptide SMILES

Convert ordinary one-letter peptide sequences to a stereochemical SMILES representation, or conservatively recover a sequence from a SMILES that contains one recognizable linear peptide backbone built from the 20 standard residues.

Sequence → SMILES

Accepts the 20 standard one-letter amino-acid codes. FASTA headers, whitespace and hyphens are ignored.

Sequence

—

3-letter

—

Formula

—

Canonical SMILES

—

SMILES → sequence

Conservative recognition: one connected linear peptide, standard residues only. It will not reinterpret an arbitrary amide-containing molecule as a peptide.

Sequence

—

3-letter

—

Formula

—

Stereo check

—

Important directionality. Sequence → SMILES is a construction problem once residue and terminal conventions are fixed. SMILES → sequence is a recognition problem and is not defined for every molecule. This page therefore rejects cyclic peptides, covalent crosslinks, nonstandard residues, protecting groups that obscure residue identity, and ambiguous peptide-backbone graphs instead of guessing. Disulfide-linked peptides should be handled later as sequence + crosslink metadata rather than collapsed into an ordinary linear sequence.