CycPeptMPDB ID: 8358

Peptide Information

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Source 2024_Kage
Original Name in Source Literature 14
Permeability 1 -6.70  (Caco2)
Detection Limit of Permeability 1 N.D
Permeability 2 N.D
Detection Limit of Permeability 2 N.D
Molecular Weight 1482.28
Monomer Length 12
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_8358
Canonical SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCCC2)N(C)C(=O)C[C@@H](C(=O)N2CCCCC2)N(C)C(=O)[C@H](C2CCCCC2)N(C)C(=O)C2(CCCC2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCc2ccc(C(F)(F)F)c(Cl)c2)NC(=O)CN(C)C(=O)[C@H](CC2CCCCC2)N(C)C(=O)CN(C)C(=O)CN(C)C1=O
Sequence (HELM) PEPTIDE8358
{[Me_Cha].I.[Sar].[Sar].[Me_Cha].[Sar].[Hph(4-CF3].[3-Cl)].P.[Ac5c].[Me_Chg].[meD].[-pip]}
$PEPTIDE8358,PEPTIDE8358,1:R1-11:R3$$$ image_HELM_8358


Physicochemical Properties

LogP 7.35 (Calculated by RDKit)
Ring Count 8 (Calculated by RDKit)
Heavy Atom Count 104 (Calculated by RDKit)
Hydrogen Bond Acceptor Count 12 (Calculated by RDKit)
Hydrogen Bond Donor Count 3 (Calculated by RDKit)
Topological Polar Surface Area 270.09 (Calculated by RDKit)
3D Polar Surface Area in Chloroform N.D (Calculated by Dr. Richard A. Lewis)
3D Polar Surface Area in Water N.D (Calculated by Dr. Richard A. Lewis)