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Chemical structure of C5aR2 agonist P32

GC76482

C5aR2 agonist P32

Also known as (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

C5aR2 agonist P32 (Ac-RHYPYWR-OH) is a C5aR2-selective agonist

ChemicalCAS2097449-46-0MW1119.23FormulaC54H70N16O11
CAS number
2097449-46-0
Molecular weight
1119.23
Formula
C54H70N16O11
Solubility
DMSO： 100 mg/mL (89·35 mM; Need ultrasonic)
InChIKey
XPZVRGWEZFYNJW-FXRUNAACSA-N
Catalogue number
GC76482
Brand
GLPBIO
Computed properties PubChem CID 155541442 · XLogP -0.5 · TPSA 446 Ų · H-bond donors 15
XLogP
-0.5
TPSA
446 Ų
H-bond donors
15
H-bond acceptors
14
Rotatable bonds
29
Heavy atoms
81

SMILES CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O

Computed descriptors from PubChem (CID 155541442), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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