CycPeptMPDB ID: 297

Peptide Information

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Source 2013_CHUGAI
Original Name in Source Literature DP-286
Permeability 1 -6.62  (PAMPA)
Detection Limit of Permeability 1 N.D
Permeability 2 N.D
Detection Limit of Permeability 2 N.D
Molecular Weight 1650.13
Monomer Length 14
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_297
Canonical SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)C[C@@H](C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C)N(C)C1=O
Sequence (HELM) PEPTIDE297
{A.T.[meF].I.[meA].[meL].[meF].[meL].[meL].D.[meF].[meF].A.[-pip]}
$PEPTIDE297,PEPTIDE297,1:R1-10:R3$$$ image_HELM_297


Physicochemical Properties

LogP 5.04 (Calculated by RDKit)
Ring Count 6 (Calculated by RDKit)
Heavy Atom Count 119 (Calculated by RDKit)
Hydrogen Bond Acceptor Count 15 (Calculated by RDKit)
Hydrogen Bond Donor Count 6 (Calculated by RDKit)
Topological Polar Surface Area 348.52 (Calculated by RDKit)
3D Polar Surface Area in Chloroform 248.00 (Calculated by Dr. Richard A. Lewis)
3D Polar Surface Area in Water 246.00 (Calculated by Dr. Richard A. Lewis)