ZTC
Summary
| Name: | (2S)-amino(3,5-dimethoxyphenyl)acetic acid |
| Formula: | C10 H13 N O4 |
| Formal charge: | 0 |
| Formula weight: | 211.215 Da |
| Component type: | D-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-amino(3,5-dimethoxyphenyl)acetic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-2-(3,5-dimethoxyphenyl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COc1cc(cc(OC)c1)C(N)C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C10H13NO4/c1-14-7-3-6(9(11)10(12)13)4-8(5-7)15-2/h3-5,9H,11H2,1-2H3,(H,12,13)/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | PUDUIVFPKSOBOR-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(OC)cc(c1)[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | COc1cc(OC)cc(c1)[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc(cc(c1)OC)[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(cc(c1)OC)C(C(=O)O)N |
