Peptide Details

Peptide Information

Source	2024_Kage
Original Name in Source Literature	15
Permeability 1	-6.54 (Caco2)
Detection Limit of Permeability 1	N.D
Permeability 2	N.D
Detection Limit of Permeability 2	N.D
Molecular Weight	1456.24
Monomer Length	12
Molecule Shape	Lariat
EPSA	N.D
Other Sources	N.D

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. in Vacuum (original) in Chloroform in Water in Vacuum (original) in Chloroform in Water
Canonical SMILES	CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)N(CC)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)	PEPTIDE8359 {[Et_Leu].I.[Sar].[Sar].[Me_Cha].[Sar].[Hph(4-CF3].[3-Cl)].P.[Ac5c].[Me_Chg].[meD].[-pip]} $PEPTIDE8359,PEPTIDE8359,1:R1-11:R3$$$

LogP	6.81	(Calculated by RDKit)
Ring Count	7	(Calculated by RDKit)
Heavy Atom Count	102	(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)