IYR
Summary
| Name: | 3-IODO-TYROSINE |
| Formula: | C9 H10 I N O3 |
| Formal charge: | 0 |
| Formula weight: | 307.085 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-iodo-L-tyrosine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3-(4-hydroxy-3-iodo-phenyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Ic1cc(ccc1O)CC(C(=O)O)N |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](Cc1ccc(O)c(I)c1)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](Cc1ccc(O)c(I)c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1C[C@@H](C(=O)O)N)I)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1CC(C(=O)O)N)I)O |
| InChI | InChI | 1.03 | InChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | UQTZMGFTRHFAAM-ZETCQYMHSA-N |
