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Chemical structure of (D-Cys(tBu)²,Thr(tBu)⁶)-Leu-Enkephalin-Thr

GA20081

(D-Cys(tBu)²,Thr(tBu)⁶)-Leu-Enkephalin-Thr

Also known as tert-butyl (2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-tert-butylsulfanylpropanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoate

The tBu-modified hexapeptide BUBUC is the most potent δ-receptor-specific enkephalin analog

ChemicalCAS131766-24-0MW815.04FormulaC41H62N6O9S
CAS number
131766-24-0
Molecular weight
815.04
Formula
C41H62N6O9S
Solubility
Soluble in DMSO
InChIKey
DXMLPUPIEUVWKS-GQAKXHIGSA-N
Catalogue number
GA20081
Brand
GLPBIO
Computed properties PubChem CID 131421 · XLogP 3.7 · TPSA 264 Ų · H-bond donors 8
XLogP
3.7
TPSA
264 Ų
H-bond donors
8
H-bond acceptors
11
Rotatable bonds
23
Heavy atoms
57

SMILES C[C@H]([C@@H](C(=O)OC(C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)[C@@H](CSC(C)(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)N)O

Computed descriptors from PubChem (CID 131421), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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