CycPeptMPDB ID: 811

Peptide Information

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Source 2013_CHUGAI
Original Name in Source Literature DP-846
Permeability 1 -5.47  (PAMPA)
Detection Limit of Permeability 1 N.D
Permeability 2 N.D
Detection Limit of Permeability 2 N.D
Molecular Weight 1273.67
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_811
Canonical SMILES C=C1CCC(=O)N[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C(=O)N2CCCCC2)Cc2cccc1c2
Sequence (HELM) PEPTIDE811
{A.[meL].I.[meF].[meL].[meV].F.T.[Mono10].[-pip]}
$PEPTIDE811,PEPTIDE811,1:R1-9:R3$$$ image_HELM_811


Physicochemical Properties

LogP 5.46 (Calculated by RDKit)
Ring Count 5 (Calculated by RDKit)
Heavy Atom Count 92 (Calculated by RDKit)
Hydrogen Bond Acceptor Count 11 (Calculated by RDKit)
Hydrogen Bond Donor Count 6 (Calculated by RDKit)
Topological Polar Surface Area 267.28 (Calculated by RDKit)
3D Polar Surface Area in Chloroform 213.00 (Calculated by Dr. Richard A. Lewis)
3D Polar Surface Area in Water 206.00 (Calculated by Dr. Richard A. Lewis)