W5I
Summary
| Name: | methyl (2~{R})-2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoate |
| Formula: | C10 H13 N O4 |
| Formal charge: | 0 |
| Formula weight: | 211.215 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl (2~{R})-2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H13NO4/c1-15-10(14)7(11)4-6-2-3-8(12)9(13)5-6/h2-3,5,7,12-13H,4,11H2,1H3/t7-/m1/s1 |
| InChIKey | InChI | 1.06 | XBBDACCLCFWBSI-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)[C@H](N)Cc1ccc(O)c(O)c1 |
| SMILES | CACTVS | 3.385 | COC(=O)[CH](N)Cc1ccc(O)c(O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)[C@@H](Cc1ccc(c(c1)O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)C(Cc1ccc(c(c1)O)O)N |
