CycPeptMPDB ID: 6979

Peptide Information

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Source 2021_Kelly
Original Name in Source Literature L3_4.4.3.3.1
Permeability 1 -5.12  (PAMPA) (%T: 69.48)
Detection Limit of Permeability 1 N.D
Permeability 2 N.D
Detection Limit of Permeability 2 N.D
Molecular Weight 1030.36
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_6979
Canonical SMILES CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@@H]2C(=O)O[C@@H]1C
Sequence (HELM) PEPTIDE6979
{[ac-].P.T.[dL].[Me_dL].[Me_dL].[meL].[meA].L.[dP]}
$PEPTIDE6979,PEPTIDE6979,3:R3-10:R2$$$ image_HELM_6979


Physicochemical Properties

LogP 2.95 (Calculated by RDKit)
Ring Count 3 (Calculated by RDKit)
Heavy Atom Count 73 (Calculated by RDKit)
Hydrogen Bond Acceptor Count 11 (Calculated by RDKit)
Hydrogen Bond Donor Count 3 (Calculated by RDKit)
Topological Polar Surface Area 235.46 (Calculated by RDKit)
3D Polar Surface Area in Chloroform 160.00 (Calculated by Dr. Richard A. Lewis)
3D Polar Surface Area in Water 156.00 (Calculated by Dr. Richard A. Lewis)