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Chemical structure of C5a Receptor agonist, W5Cha

GC76596

C5a Receptor agonist, W5Cha

Also known as (2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-(methylamino)-3-phenylpropanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-cyclohexylpropanoyl]amino]-3-cyclohexylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

C5a Receptor agonist, W5Cha (Peptide 1) is a selective complement C5a receptor (C5aR) agonist (EC50=0·2 μM), a hexapeptide derived from the C-terminus of C5a with specific amino acid modifications

ChemicalCAS144555-23-7MW867.13FormulaC45H74N10O7
CAS number
144555-23-7
Molecular weight
867.13
Formula
C45H74N10O7
Solubility
DMSO： 100 mg/mL (115·32 mM; Need ultrasonic)
InChIKey
OLWJKQKSDDUCKB-PHDGMBCWSA-N
Catalogue number
GC76596
Brand
GLPBIO
Computed properties PubChem CID 166638162 · XLogP 2.2 · TPSA 276 Ų · H-bond donors 9
XLogP
2.2
TPSA
276 Ų
H-bond donors
9
H-bond acceptors
10
Rotatable bonds
25
Heavy atoms
62

SMILES CN[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@H](CC3CCCCC3)C(=O)N[C@@H](CC4CCCCC4)C(=O)N[C@H](CCCN=C(N)N)C(=O)O

Computed descriptors from PubChem (CID 166638162), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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