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Chemical structure of Endomorphin 2 TFA

GC35986

Endomorphin 2 TFA

Also known as (2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid

Endomorphin 2 TFA, a high affinity, highly selective agonist of the μ-opioid receptor, displays reasonable affinities for kappa3 binding sites, with Ki value between 20 and 30 nM

ChemicalCAS1276124-00-5MW685.69FormulaC34H38F3N5O7
CAS number
1276124-00-5
Molecular weight
685.69
Formula
C34H38F3N5O7
Solubility
Water： 62·5 mg/mL (91·15 mM); DMSO： ＜ 1 mg/mL (insoluble or slightly soluble)
InChIKey
ONJAQAAWBPIPNC-ZLYCMTQRSA-N
Catalogue number
GC35986
Brand
GLPBIO
Computed properties PubChem CID 137700452 · TPSA 205 Ų · H-bond donors 6 · H-bond acceptors 11
TPSA
205 Ų
H-bond donors
6
H-bond acceptors
11
Rotatable bonds
12
Heavy atoms
49

SMILES C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=C(C=C2)O)N)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N.C(=O)(C(F)(F)F)O

Computed descriptors from PubChem (CID 137700452), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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