3,5-diiodo-L-tyrosine   Click here for help

GtoPdb Ligand ID: 6651

Synonyms: 3,5-diiodotyrosine | diotyrosine
PDB Ligand
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 83.55
Molecular weight 432.87
XLogP 0.35
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C(Cc1cc(I)c(c(c1)I)O)N
Isomeric SMILES OC(=O)[C@H](Cc1cc(I)c(c(c1)I)O)N
InChI InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1
InChI Key NYPYHUZRZVSYKL-ZETCQYMHSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
Synonyms Click here for help
3,5-diiodotyrosine | diotyrosine
Database Links Click here for help
CAS Registry No. 300-39-0
ChEBI CHEBI:15768
ChEMBL Ligand CHEMBL1236469
DrugCentral Ligand 3146
GtoPdb PubChem SID 178103264
PubChem CID 9305
RCSB PDB Ligand TYI
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Wikipedia Diiodotyrosine