CycPeptMPDB ID: 2427

Peptide Information

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Source 2020_Furukawa
Original Name in Source Literature A_08
Permeability 1 -6.34  (PAMPA) (%R: 3.15)
Detection Limit of Permeability 1 N.D
Permeability 2 -4.61  (MDCK)
Detection Limit of Permeability 2 N.D
Molecular Weight 1089.43
Monomer Length 10
Molecule Shape Circle
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_2427
Canonical SMILES CCN1CC(=O)N[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)N(CC2CCCCC2)CC(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C1=O
Sequence (HELM) PEPTIDE2427
{L.[dP].[cHexCH2_Gly].L.[meA].F.[dP].[Et_Gly].L.[meA]}
$PEPTIDE2427,PEPTIDE2427,1:R1-10:R2$$$ image_HELM_2427


Physicochemical Properties

LogP 3.25 (Calculated by RDKit)
Ring Count 5 (Calculated by RDKit)
Heavy Atom Count 78 (Calculated by RDKit)
Hydrogen Bond Acceptor Count 10 (Calculated by RDKit)
Hydrogen Bond Donor Count 4 (Calculated by RDKit)
Topological Polar Surface Area 238.26 (Calculated by RDKit)
3D Polar Surface Area in Chloroform 175.00 (Calculated by Dr. Richard A. Lewis)
3D Polar Surface Area in Water 151.00 (Calculated by Dr. Richard A. Lewis)