MDF
Summary
| Name: | META, META'-DI-HYDROXY-PHENYLALANINE |
| Formula: | C9 H11 N O4 |
| Formal charge: | 0 |
| Formula weight: | 197.188 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | methyl (2S)-amino(3,5-dihydroxyphenyl)ethanoate |
| OpenEye OEToolkits | 1.5.0 | methyl (2S)-2-amino-2-(3,5-dihydroxyphenyl)ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(OC)C(c1cc(O)cc(O)c1)N |
| SMILES_CANONICAL | CACTVS | 3.341 | COC(=O)[C@@H](N)c1cc(O)cc(O)c1 |
| SMILES | CACTVS | 3.341 | COC(=O)[CH](N)c1cc(O)cc(O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COC(=O)[C@H](c1cc(cc(c1)O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | COC(=O)C(c1cc(cc(c1)O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C9H11NO4/c1-14-9(13)8(10)5-2-6(11)4-7(12)3-5/h2-4,8,11-12H,10H2,1H3/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | RPSOEOPINVKYBT-QMMMGPOBSA-N |
