CycPeptMPDB ID: 8419

Peptide Information

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Source 2024_Koch
Original Name in Source Literature LTC01
Permeability 1 -8.38  (PAMPA)
Detection Limit of Permeability 1 N.D
Permeability 2 N.D
Detection Limit of Permeability 2 N.D
Molecular Weight 971.26
Monomer Length 9
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_8419
Canonical SMILES CCC[C@@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)Cn2cc(nn2)CN(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC)N(C)C(=O)[C@H]2CCCN2C1=O
Sequence (HELM) PEPTIDE8419
{L.[meA].[Nva].[dP].[Me_Nva].L.[meA].L.[Mono116]}
$PEPTIDE8419,PEPTIDE8419,1:R1-9:R2$$$ image_HELM_8419


Physicochemical Properties

LogP 1.44 (Calculated by RDKit)
Ring Count 3 (Calculated by RDKit)
Heavy Atom Count 69 (Calculated by RDKit)
Hydrogen Bond Acceptor Count 12 (Calculated by RDKit)
Hydrogen Bond Donor Count 4 (Calculated by RDKit)
Topological Polar Surface Area 248.66 (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)