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Chemical structure of C5a Anaphylatoxin (37-53) (human)

GA21235

C5a Anaphylatoxin (37-53) (human)

Also known as (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]propanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]pentanedioic acid

Complement C5a anaphylatoxin fragment considered to be the region essential for C5a function· It is an antisense homology box (AHB) peptide of C5a

ChemicalCAS706808-05-1MW1889.26FormulaC82H141N27O22S
CAS number
706808-05-1
Molecular weight
1889.26
Formula
C82H141N27O22S
Solubility
Soluble in DMSO
InChIKey
WDIYGLYKOKNOQE-SWUANFAKSA-N
Catalogue number
GA21235
Brand
GLPBIO
Computed properties PubChem CID 131857918 · XLogP -8.8 · TPSA 811 Ų · H-bond donors 31
XLogP
-8.8
TPSA
811 Ų
H-bond donors
31
H-bond acceptors
28
Rotatable bonds
65
Heavy atoms
132

SMILES CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)N

Computed descriptors from PubChem (CID 131857918), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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