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Chemical structure of Pheromone Biosynthesis Activating Neuropeptide (Helicoverpa assulta, Heliothis zea)

GA23365

Pheromone Biosynthesis Activating Neuropeptide (Helicoverpa assulta, Heliothis zea)

Also known as 5-[[5-amino-1-[[1-[[1-[[1-[[1-[[1-[[6-amino-1-[[1-[[1-[[1-[2-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[1-[2-[[5-amino-2-[[2-[[2-[[2-[[2-[[5-amino-2-[[2-[2-[[1-[2-[2-[[1-[2-[[2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]propanoylamino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]propanoylamino]-3-carboxypropanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid

A pheromone biosynthesis activating neuropeptide hormone which in the picomolar range induced sex pheromone synthesis in various moth species

ChemicalCAS122071-54-9MW3901.31FormulaC167H259N47O57S2
CAS number
122071-54-9
Molecular weight
3901.31
Formula
C167H259N47O57S2
Solubility
Soluble in DMSO
InChIKey
NZYXUPVSMGHNSI-UHFFFAOYSA-N
Catalogue number
GA23365
Brand
GLPBIO
Computed properties PubChem CID 172641529 · XLogP -19.5 · TPSA 1760 Ų · H-bond donors 57
XLogP
-19.5
TPSA
1760 Ų
H-bond donors
57
H-bond acceptors
64
Rotatable bonds
128
Heavy atoms
273

SMILES CCC(C)C(C(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(C)O)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CO)C(=O)N3CCCC3C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C4CCCN4C(=O)C(CC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(CCSC)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C6CCCN6C(=O)C(C(C)O)NC(=O)C(C)NC(=O)C7CCCN7C(=O)C(CCSC)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CC(C)C)N

Computed descriptors from PubChem (CID 172641529), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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