IB9
Summary
| Name: | Beta-tyrosine |
| Synonyms: | (3S)-3-azanyl-3-(4-hydroxyphenyl)propanoic acid Betatyrosine |
| Formula: | C9 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 181.189 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-3-azanyl-3-(4-hydroxyphenyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H11NO3/c10-8(5-9(12)13)6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | JYPHNHPXFNEZBR-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CC(O)=O)c1ccc(O)cc1 |
| SMILES | CACTVS | 3.385 | N[CH](CC(O)=O)c1ccc(O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1[C@H](CC(=O)O)N)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(CC(=O)O)N)O |
