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Chemical structure of T3-ATA S-isomer

GC34822

T3-ATA S-isomer

Also known as (2S)-2-[(2-acetylsulfanylacetyl)amino]-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid

T3-ATA S-isomer is the S-isomer of T3-ATA, which is the active form of the thyroid hormone

ChemicalCAS2438721-48-1MW767.11FormulaC19H16I3NO6S
CAS number
2438721-48-1
Molecular weight
767.11
Formula
C19H16I3NO6S
Solubility
Soluble in DMSO
InChIKey
RHDAROOLVWCQRO-HNNXBMFYSA-N
Catalogue number
GC34822
Brand
GLPBIO
Computed properties PubChem CID 138377585 · XLogP 4.7 · TPSA 138 Ų · H-bond donors 3
XLogP
4.7
TPSA
138 Ų
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
30

SMILES CC(=O)SCC(=O)N[C@@H](CC1=CC(=C(C(=C1)I)OC2=CC(=C(C=C2)O)I)I)C(=O)O

Computed descriptors from PubChem (CID 138377585), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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