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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H15I2NO4
Molecular Weight 539.1035
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,5-Diiodo-O-(4-methoxyphenyl)-L-tyrosine

SMILES

COC1=CC=C(OC2=C(I)C=C(C[C@H](N)C(O)=O)C=C2I)C=C1

InChI

InChIKey=UBTILXPOSFIMMG-AWEZNQCLSA-N
InChI=1S/C16H15I2NO4/c1-22-10-2-4-11(5-3-10)23-15-12(17)6-9(7-13(15)18)8-14(19)16(20)21/h2-7,14H,8,19H2,1H3,(H,20,21)/t14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H15I2NO4
Molecular Weight 539.1035
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:09:25 GMT 2025
Edited
by admin
on Wed Apr 02 19:09:25 GMT 2025
Record UNII
6K89RF3XHU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(S)-2-Amino-3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]propanoic acid
Preferred Name English
3,5-Diiodo-O-(4-methoxyphenyl)-L-tyrosine
Systematic Name English
L-Tyrosine, 3,5-diiodo-O-(4-methoxyphenyl)-
Systematic Name English
2-Amino-3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]propanoic acid, (S)-
Systematic Name English
Code System Code Type Description
FDA UNII
6K89RF3XHU
Created by admin on Wed Apr 02 19:09:25 GMT 2025 , Edited by admin on Wed Apr 02 19:09:25 GMT 2025
PRIMARY
EPA CompTox
DTXSID901270730
Created by admin on Wed Apr 02 19:09:25 GMT 2025 , Edited by admin on Wed Apr 02 19:09:25 GMT 2025
PRIMARY
PUBCHEM
15227800
Created by admin on Wed Apr 02 19:09:25 GMT 2025 , Edited by admin on Wed Apr 02 19:09:25 GMT 2025
PRIMARY
CAS
94345-95-6
Created by admin on Wed Apr 02 19:09:25 GMT 2025 , Edited by admin on Wed Apr 02 19:09:25 GMT 2025
PRIMARY