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Chemical structure of (Tyr⁶⁹,Ala⁷¹,⁷²,Lys⁷⁴)-C3a (69-77)

GA20336

(Tyr⁶⁹,Ala⁷¹,⁷²,Lys⁷⁴)-C3a (69-77)

Also known as (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

The peptide YAAALKLAR, which has been modeled after the C-terminus of the anaphylatoxin C3a, constitutes a potent inhibitor of C3a activity· The Lys?? residue contributes to the separation between deactivation and activation of the C3a receptor

ChemicalCAS145702-79-0MW976.19FormulaC45H77N13O11
CAS number
145702-79-0
Molecular weight
976.19
Formula
C45H77N13O11
Solubility
Soluble in DMSO
InChIKey
BWGXPMUHXXJMQE-QWXVOAEUSA-N
Catalogue number
GA20336
Brand
GLPBIO
Computed properties PubChem CID 131698008 · XLogP -2.6 · TPSA 407 Ų · H-bond donors 14
XLogP
-2.6
TPSA
407 Ų
H-bond donors
14
H-bond acceptors
14
Rotatable bonds
31
Heavy atoms
69

SMILES C[C@@H](C(=O)N[C@@H](C)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](CC1=CC=C(C=C1)O)N

Computed descriptors from PubChem (CID 131698008), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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