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Chemical structure of Allatotropin

GA20699

Allatotropin

Also known as 4-[[2-[[4-amino-2-[[6-amino-2-[[2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-5-[[1-[[1-[[1-[[1-[[1-[[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

The neurohormone allatotropin, GFKNVEMMTARGF-amide, has been isolated from head extracts of the adult tobacco hornworm, Manduca sexta· It strongly stimulates the release of juvenile hormone from the corpora allata in vitro

ChemicalCAS120928-88-3MW1486.78FormulaC65H103N19O17S2
CAS number
120928-88-3
Molecular weight
1486.78
Formula
C65H103N19O17S2
Solubility
Soluble in DMSO
InChIKey
VOQFXDFZGBDKIR-UHFFFAOYSA-N
Catalogue number
GA20699
Brand
GLPBIO
Computed properties PubChem CID 71311646 · XLogP -6.2 · TPSA 660 Ų · H-bond donors 20
XLogP
-6.2
TPSA
660 Ų
H-bond donors
20
H-bond acceptors
22
Rotatable bonds
50
Heavy atoms
103

SMILES CC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(CCSC)C(=O)NC(CCSC)C(=O)NC(C(C)O)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(CCCCN)NC(=O)C(CC2=CC=CC=C2)NC(=O)CN

Computed descriptors from PubChem (CID 71311646), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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