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Chemical structure of (Fmoc-Glu⁷⁰,Ala⁷¹,⁷²,Lys⁷⁴)-C3a (70-77)

GA20180

(Fmoc-Glu⁷⁰,Ala⁷¹,⁷²,Lys⁷⁴)-C3a (70-77)

Also known as (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoic acid

The peptide Fmoc-EAALKLAR, which has been modeled after the C-terminus of the anaphylatoxin C3a, is a potent inhibitor of C3a activity· It is preferred for testing C3a-desensitizing capacity in vivo

ChemicalCAS145082-23-1MW1093.29FormulaC53H80N12O13
CAS number
145082-23-1
Molecular weight
1093.29
Formula
C53H80N12O13
Solubility
Soluble in DMSO
InChIKey
XHQWTROUXVAQHB-SZSNYDGXSA-N
Catalogue number
GA20180
Brand
GLPBIO
Computed properties PubChem CID 131697969 · XLogP -0.3 · TPSA 407 Ų · H-bond donors 13
XLogP
-0.3
TPSA
407 Ų
H-bond donors
13
H-bond acceptors
15
Rotatable bonds
34
Heavy atoms
78

SMILES C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

Computed descriptors from PubChem (CID 131697969), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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