T44

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Summary

Name:3,5,3',5'-TETRAIODO-L-THYRONINE
Formula:C15 H11 I4 N O4
Formal charge:0
Molecular weight:776.87 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosine
OpenEye OEToolkits1.5.0(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-phenyl]propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(N)Cc2cc(I)c(Oc1cc(I)c(O)c(I)c1)c(I)c2
SMILES_CANONICALCACTVS3.341N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O
SMILESCACTVS3.341N[CH](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)C[C@@H](C(=O)O)N
SMILESOpenEye OEToolkits1.5.0c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(C(=O)O)N
InChIInChI1.03InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1
InChIKeyInChI1.03XUIIKFGFIJCVMT-LBPRGKRZSA-N
167132
PDB entries from 2020-07-29