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Chemical structure of Cyclo(his-pro) TFA

GC38761

Cyclo(his-pro) TFA

Also known as (3S,8aS)-3-(1H-imidazol-5-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione;2,2,2-trifluoroacetic acid

Cyclo(his-pro) TFA (Cyclo(histidyl-proline) TFA) is an orally active cyclic dipeptide structurally related to tyreotropin-releasing hormone

ChemicalCAS936749-56-3MW348.28FormulaC13H15F3N4O4
CAS number
936749-56-3
Molecular weight
348.28
Formula
C13H15F3N4O4
Solubility
DMSO： 260 mg/mL (746·53 mM); Water： 125 mg/mL (358·91 mM; ultrasonic and adjust pH to 10 with NaOH)
InChIKey
YOFCDSUBRJNLBB-OZZZDHQUSA-N
Catalogue number
GC38761
Brand
GLPBIO
Computed properties PubChem CID 145925626 · TPSA 115 Ų · H-bond donors 3 · H-bond acceptors 8
TPSA
115 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
2
Heavy atoms
24

SMILES C1C[C@H]2C(=O)N[C@H](C(=O)N2C1)CC3=CN=CN3.C(=O)(C(F)(F)F)O

Computed descriptors from PubChem (CID 145925626), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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