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Chemical structure of AF-2

GA20696

AF-2

Also known as (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(4H-imidazol-4-yl)propanoyl]amino]-5-oxopentanoic acid

AF-2, KHEYLRF-amide, was isolated from a head extract of the nematode, Ascaris suum· The peptide produced multiple effects on muscle tension, markedly increasing the tension change associated with changes in muscle membrane potential· It had mainly inhibitory effects on Helix central neurones due to an increase in potassium conductance· KHEYLRF-amide has also been detected in Caenorhabditis elegans

ChemicalCAS146269-94-5MW991.16FormulaC47H70N14O10
CAS number
146269-94-5
Molecular weight
991.16
Formula
C47H70N14O10
Solubility
Soluble in DMSO
InChIKey
MGOKUNODPHLKLV-NDXBOBJVSA-N
Catalogue number
GA20696
Brand
GLPBIO
Computed properties PubChem CID 3036135 · XLogP -3.7 · TPSA 416 Ų · H-bond donors 13
XLogP
-3.7
TPSA
416 Ų
H-bond donors
13
H-bond acceptors
14
Rotatable bonds
32
Heavy atoms
71

SMILES CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC3C=NC=N3)NC(=O)[C@H](CCCCN)N

Computed descriptors from PubChem (CID 3036135), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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