3FG
Summary
| Name: | (2S)-amino(3,5-dihydroxyphenyl)ethanoic acid |
| Formula: | C8 H9 N O4 |
| Formal charge: | 0 |
| Formula weight: | 183.161 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-amino(3,5-dihydroxyphenyl)ethanoic acid |
| OpenEye OEToolkits | 1.7.0 | (2S)-2-azanyl-2-(3,5-dihydroxyphenyl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(c1cc(O)cc(O)c1)N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@H](C(O)=O)c1cc(O)cc(O)c1 |
| SMILES | CACTVS | 3.370 | N[CH](C(O)=O)c1cc(O)cc(O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1c(cc(cc1O)O)[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1c(cc(cc1O)O)C(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C8H9NO4/c9-7(8(12)13)4-1-5(10)3-6(11)2-4/h1-3,7,10-11H,9H2,(H,12,13)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | HOOWCUZPEFNHDT-ZETCQYMHSA-N |
