V4F
Summary
| Name: | 8-(aminomethyl)-4-(phosphonomethoxy)quinoline-2-carboxylic acid |
| Formula: | C12 H13 N2 O6 P |
| Formal charge: | 0 |
| Formula weight: | 312.215 Da |
| Component type: | peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 8-(aminomethyl)-4-(phosphonomethoxy)quinoline-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H13N2O6P/c13-5-7-2-1-3-8-10(20-6-21(17,18)19)4-9(12(15)16)14-11(7)8/h1-4H,5-6,13H2,(H,15,16)(H2,17,18,19) |
| InChIKey | InChI | 1.06 | OQLWCJHMUOMQIW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1cccc2c(OC[P](O)(O)=O)cc(nc12)C(O)=O |
| SMILES | CACTVS | 3.385 | NCc1cccc2c(OC[P](O)(O)=O)cc(nc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c2c(c1)c(cc(n2)C(=O)O)OCP(=O)(O)O)CN |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c2c(c1)c(cc(n2)C(=O)O)OCP(=O)(O)O)CN |
