TYI
Summary
| Name: | 3,5-DIIODOTYROSINE |
| Formula: | C9 H9 I2 N O3 |
| Formal charge: | 0 |
| Formula weight: | 432.982 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3,5-diiodo-L-tyrosine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3-(4-hydroxy-3,5-diiodo-phenyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Ic1cc(cc(I)c1O)CC(C(=O)O)N |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](Cc1cc(I)c(O)c(I)c1)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](Cc1cc(I)c(O)c(I)c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(cc(c(c1I)O)I)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c(cc(c(c1I)O)I)CC(C(=O)O)N |
| InChI | InChI | 1.03 | 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 |
| InChIKey | InChI | 1.03 | NYPYHUZRZVSYKL-ZETCQYMHSA-N |
