3'-deiodo-3'-O-(4'-thyroxyl) Thyroxine

Analyte Name

(S)-2-Amino-3-(4-(3-(4-(4-((S)-2-amino-2-carboxyethyl)-2,6-diiodophenoxy)-2,6-diiodophenoxy)-4-hydroxy-5-iodophenoxy)-3,5-diiodophenyl)propanoic Acid

CAS Number

2088032-62-4

Molecular Formula

C30 H21 I7 N2 O8

Molecular Weight

1425.828

Accurate Mass

1425.461

SMILES

N[C@@H](Cc1cc(I)c(Oc2cc(I)c(Oc3cc(Oc4c(I)cc(C[C@H](N)C(=O)O)cc4I)cc(I)c3O)c(I)c2)c(I)c1)C(=O)O

InChI

InChI=1S/C30H21I7N2O8/c31-15-7-14(46-27-18(34)3-12(4-19(27)35)6-23(39)30(43)44)10-24(25(15)40)47-28-20(36)8-13(9-21(28)37)45-26-16(32)1-11(2-17(26)33)5-22(38)29(41)42/h1-4,7-10,22-23,40H,5-6,38-39H2,(H,41,42)(H,43,44)/t22-,23-/m0/s1

IUPAC

(2S)-2-amino-3-[4-[3-[4-[4-[(2S)-2-amino-2-carboxyethyl]-2,6-diiodophenoxy]-2,6-diiodophenoxy]-4-hydroxy-5-iodophenoxy]-3,5-diiodophenyl]propanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat