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Chemical structure of (Leu⁸,D-Trp²²,Tyr²⁵)-Somatostatin-28

GA20231

(Leu⁸,D-Trp²²,Tyr²⁵)-Somatostatin-28

Also known as 37-[[2-[2-[[6-amino-2-[[2-[[2-[[2-[[1-[2-[[2-[2-[[1-[4-amino-2-[[2-[[4-amino-2-[2-[(2-amino-3-hydroxypropanoyl)amino]propanoylamino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]propanoylamino]-4-methylpentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]propanoylamino]acetyl]amino]-19,34-bis(4-aminobutyl)-31-(2-amino-2-oxoethyl)-25,28-dibenzyl-10,16-bis(1-hydroxyethyl)-7-(hydroxymethyl)-13-[(4-hydroxyphenyl)methyl]-22-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacontane-4-carboxylic acid

This somatostatin analog which can be iodinated has been used to characterize somatostatin binding sites in rat brain and hamster insulinoma membranes

ChemicalCAS77909-99-0MW3146.56FormulaC138H209N41O40S2
CAS number
77909-99-0
Molecular weight
3146.56
Formula
C138H209N41O40S2
Solubility
Soluble in DMSO
InChIKey
DGQBOTVLVQCHKW-UHFFFAOYSA-N
Catalogue number
GA20231
Brand
GLPBIO
Computed properties PubChem CID 16133005 · XLogP -14.9 · TPSA 1390 Ų · H-bond donors 47
XLogP
-14.9
TPSA
1390 Ų
H-bond donors
47
H-bond acceptors
48
Rotatable bonds
77
Heavy atoms
221

SMILES CC(C)CC(C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NCC(=O)NC2CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CCCCN)CC(=O)N)CC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CNC6=CC=CC=C65)CCCCN)C(C)O)CC7=CC=C(C=C7)O)C(C)O)CO)C(=O)O)NC(=O)C(C)NC(=O)C8CCCN8C(=O)C(CC(=O)N)NC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)C(C)NC(=O)C(CO)N

Computed descriptors from PubChem (CID 16133005), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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