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Chemical structure of (Tyr⁴,D-Phe¹²)-Bombesin

GA20333

(Tyr⁴,D-Phe¹²)-Bombesin

Also known as (2S)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-4-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanediamide

This bombesin analog is a specific antagonist of the bombesin receptor

ChemicalCAS108437-89-4MW1679.92FormulaC77H110N22O19S
CAS number
108437-89-4
Molecular weight
1679.92
Formula
C77H110N22O19S
Solubility
Soluble in DMSO
InChIKey
PDVFIJHSKDEPIS-NJYMWGPYSA-N
Catalogue number
GA20333
Brand
GLPBIO
Computed properties PubChem CID 71308668 · XLogP -2.7 · TPSA 703 Ų · H-bond donors 23
XLogP
-2.7
TPSA
703 Ų
H-bond donors
23
H-bond acceptors
21
Rotatable bonds
52
Heavy atoms
119

SMILES C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]5CCC(=O)N5

Computed descriptors from PubChem (CID 71308668), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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