WGB
Summary
| Name: | (2~{S})-2-(methylamino)-3-[4-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]propanoic acid |
| Formula: | C10 H13 N2 O4 |
| Formal charge: | -1 |
| Formula weight: | 225.221 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-(methylamino)-3-[4-[oxidanyl(oxidanylidene)azanuidyl]phenyl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H13N2O4/c1-11-9(10(13)14)6-7-2-4-8(5-3-7)12(15)16/h2-5,9,11H,6H2,1H3,(H,13,14)(H,15,16)/q-1/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | WJFGDHYNMQDFBH-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN[C@@H](Cc1ccc(cc1)[N-](O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CN[CH](Cc1ccc(cc1)[N-](O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN[C@@H](Cc1ccc(cc1)[N-](=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNC(Cc1ccc(cc1)[N-](=O)O)C(=O)O |
