A1D5P
Summary
| Name: | (2~{R},3~{S})-2-azanyl-3-(4-hydroxyphenyl)-3-oxidanyl-propanoic acid |
| Synonyms: | (betaS)-beta-hydroxy-D-tyrosine |
| Formula: | C9 H11 N O4 |
| Formal charge: | 0 |
| Formula weight: | 197.188 Da |
| Component type: | D-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{S})-2-azanyl-3-(4-hydroxyphenyl)-3-oxidanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H11NO4/c10-7(9(13)14)8(12)5-1-3-6(11)4-2-5/h1-4,7-8,11-12H,10H2,(H,13,14)/t7-,8+/m1/s1 |
| InChIKey | InChI | 1.06 | RKCRKDKQUDBXAU-SFYZADRCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H]([C@@H](O)c1ccc(O)cc1)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH]([CH](O)c1ccc(O)cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1[C@@H]([C@H](C(=O)O)N)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(C(C(=O)O)N)O)O |
