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Chemical structure of PSMα2

GC74338

PSMα2

Also known as (2S)-6-amino-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]hexanoic acid

PSMα2 is a potent PSM (phenol-soluble modulin) peptide toward mouse neutrophils, led to strong influx of leukocytes

ChemicalCAS1092844-32-0MW2277.85FormulaC109H185N25O25S
CAS number
1092844-32-0
Molecular weight
2277.85
Formula
C109H185N25O25S
Solubility
DMSO ： 10 mg/mL (4·39 mM; Need ultrasonic)
InChIKey
UZKKAQZZWFFORF-HVDODJMVSA-N
Catalogue number
GC74338
Brand
GLPBIO
Computed properties PubChem CID 172407978 · XLogP -1 · TPSA 832 Ų · H-bond donors 28
XLogP
-1
TPSA
832 Ų
H-bond donors
28
H-bond acceptors
31
Rotatable bonds
82
Heavy atoms
160

SMILES CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CNC(=O)[C@H](CCSC)N

Computed descriptors from PubChem (CID 172407978), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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