CycPeptMPDB ID: 7170

Peptide Information

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Source 2021_Kelly
Original Name in Source Literature L5_83
Permeability 1 -5.32  (PAMPA) (%R: 77.74) (%T: 53.42)
Detection Limit of Permeability 1 N.D
Permeability 2 N.D
Detection Limit of Permeability 2 N.D
Molecular Weight 1072.36
Monomer Length 10
Molecule Shape Lariat
EPSA N.D
Other Sources N.D


Structural Information

Structure
WARNING
3D structure on the left is the minimum energy conformation obtained by the force field of molecular mechanics. This conformation likely does not reflect what is found in biological systems, and most peptides populate ensembles rather than a single conformation.


image_2Dstructure_7170
Canonical SMILES CCC[C@@H]1NC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C(C)=O)[C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)N(C)C(=O)[C@@H](CC(C)C)NC1=O
Sequence (HELM) PEPTIDE7170
{[ac-].P.[Me_dL].T.[d1-Nal].[Nva].[dL].[Me_dA].L.P}
$PEPTIDE7170,PEPTIDE7170,4:R3-10:R2$$$ image_HELM_7170


Physicochemical Properties

LogP 3.37 (Calculated by RDKit)
Ring Count 5 (Calculated by RDKit)
Heavy Atom Count 77 (Calculated by RDKit)
Hydrogen Bond Acceptor Count 11 (Calculated by RDKit)
Hydrogen Bond Donor Count 5 (Calculated by RDKit)
Topological Polar Surface Area 253.04 (Calculated by RDKit)
3D Polar Surface Area in Chloroform 200.00 (Calculated by Dr. Richard A. Lewis)
3D Polar Surface Area in Water 181.00 (Calculated by Dr. Richard A. Lewis)