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Chemical structure of Pexiganan

GC69691

Pexiganan

Also known as (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]hexanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanamide

Pexiganan (MSI 78 free base) is a synthetic analogue of magainin 2· Pexiganan is a potent and orally active broad-spectrum antimicrobial peptide· Pexiganan can be used for infection-related research, such as diabetic foot ulcer infections

ChemicalCAS147664-63-9MW2477.17FormulaC122H210N32O22
CAS number
147664-63-9
Molecular weight
2477.17
Formula
C122H210N32O22
Solubility
H2O ： 100 mg/mL (40·37 mM; Need ultrasonic)
InChIKey
KGZGFSNZWHMDGZ-KAYYGGFYSA-N
Catalogue number
GC69691
Brand
GLPBIO
Computed properties PubChem CID 16132253 · XLogP 1 · TPSA 914 Ų · H-bond donors 32
XLogP
1
TPSA
914 Ų
H-bond donors
32
H-bond acceptors
32
Rotatable bonds
94
Heavy atoms
176

SMILES CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)CN

Computed descriptors from PubChem (CID 16132253), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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