V53
Summary
| Name: | 8-azanyl-4-(phosphonomethoxy)quinoline-2-carboxylic acid |
| Formula: | C11 H11 N2 O6 P |
| Formal charge: | 0 |
| Formula weight: | 298.189 Da |
| Component type: | peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 8-azanyl-4-(phosphonomethoxy)quinoline-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H11N2O6P/c12-7-3-1-2-6-9(19-5-20(16,17)18)4-8(11(14)15)13-10(6)7/h1-4H,5,12H2,(H,14,15)(H2,16,17,18) |
| InChIKey | InChI | 1.06 | WEQDULVFGDEUJR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cccc2c(OC[P](O)(O)=O)cc(nc12)C(O)=O |
| SMILES | CACTVS | 3.385 | Nc1cccc2c(OC[P](O)(O)=O)cc(nc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc(nc2c(c1)N)C(=O)O)OCP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc(nc2c(c1)N)C(=O)O)OCP(=O)(O)O |
