BIOPEP-UWM: Peptide Data
ID
Name
Sequence
{Nle}{Nle}{~!C1}
Chemical Mass
Number of residues
Monoisotopic Mass
EC50
IC50
µM
Additional Information
BIOPEP-UWM database of bioactive peptides SMILES: N[C@@H](CCCC)C(=O)N[C@@H](CCCC)C(=O)NC InChI=1S/2C13H27N3O2/c2*1-4-6-8-10(14)12(17)16-11(9-7-5-2)13(18)15-3/h2*10-11H,4-9,14H2,1-3H3,(H,15,18)(H,16,17)/t2*10-,11-/m00/s1 InChIKey=JJXHJMGOHJSIHA-SGUUPRDWSA-N {~!C1} - C-terminal aminomethane (ID 131 in the BIOPEP-UWM repository of amino acids and modifications) {Nle} - Norleucine (ID 231 in the BIOPEP-UWM repository of amino acids and modifications) Databases PubChem (CID 10563118), BRENDA (Ligand Nle-Nle-NHCH3) and ChemSpider (ID 8738506) annotate isomer of this peptide) Idntifiers of isomer according to the PubChem database: SMILES: CCCC[C@@H](C(=O)N[C@@H](CCCC)C(=O)NC)N InChI=1S/C13H27N3O2/c1-4-6-8-10(14)12(17)16-11(9-7-5-2)13(18)15-3/h10-11H,4-9,14H2,1-3H3,(H,15,18)(H,16,17)/t10-,11-/m0/s1 InChIKey=HDZRQFPHMAOEHQ-QWRGUYRKSA-N
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