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Chemical structure of ([ring-D₅]Phe⁶)-Somatostatin-14

GA20016

([ring-D₅]Phe⁶)-Somatostatin-14

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

Stable isotope-labeled Somatostatin-14 useful for pharmacokinetic/pharmacodynamic studies in combination with glpbio product H-1490 Somatostatin-14 or the corresponding generic API (Somatostatin Ph· Eur·)

ChemicalCAS1926163-72-5MW1642.94FormulaC76H99D5N18O19S2
CAS number
1926163-72-5
Molecular weight
1642.94
Formula
C76H99D5N18O19S2
Solubility
Soluble in DMSO
InChIKey
NHXLMOGPVYXJNR-MUNONYASSA-N
Catalogue number
GA20016
Brand
GLPBIO
Computed properties PubChem CID 131698132 · XLogP -3.1 · TPSA 664 Ų · H-bond donors 22
XLogP
-3.1
TPSA
664 Ų
H-bond donors
22
H-bond acceptors
24
Rotatable bonds
26
Heavy atoms
115

SMILES [2H]C1=C(C(=C(C(=C1[2H])[2H])C[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCCCN)NC(=O)CNC(=O)[C@H](C)N)C(=O)O)CO)[C@@H](C)O)CC3=CC=CC=C3)[C@@H](C)O)CCCCN)CC4=CNC5=CC=CC=C54)CC6=CC=CC=C6)[2H])[2H]

Computed descriptors from PubChem (CID 131698132), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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