CycPeptMPDB ID: 48

Peptide Information

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Source 2013_CHUGAI
Original Name in Source Literature DP-3
Permeability 1 -6.25  (PAMPA)
Detection Limit of Permeability 1 N.D
Permeability 2 N.D
Detection Limit of Permeability 2 N.D
Molecular Weight 1326.65
Monomer Length 13
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_48
Canonical SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC1=O
Sequence (HELM) PEPTIDE48
{A.A.L.[meV].L.F.F.P.I.T.G.D.[-pip]}
$PEPTIDE48,PEPTIDE48,1:R1-12:R3$$$ image_HELM_48


Physicochemical Properties

LogP 0.40 (Calculated by RDKit)
Ring Count 5 (Calculated by RDKit)
Heavy Atom Count 95 (Calculated by RDKit)
Hydrogen Bond Acceptor Count 14 (Calculated by RDKit)
Hydrogen Bond Donor Count 11 (Calculated by RDKit)
Topological Polar Surface Area 372.16 (Calculated by RDKit)
3D Polar Surface Area in Chloroform 285.00 (Calculated by Dr. Richard A. Lewis)
3D Polar Surface Area in Water 286.00 (Calculated by Dr. Richard A. Lewis)