PTX
Summary
| Name: | {[(2E)-2-(2-AMINO-1,3-THIAZOL-4-YL)-2-(METHOXYIMINO)ETHANOYL]AMINO}METHYLPHOSPHONIC ACID |
| Formula: | C7 H11 N4 O5 P S |
| Formal charge: | 0 |
| Formula weight: | 294.225 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | ({[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}methyl)phosphonic acid |
| OpenEye OEToolkits | 1.5.0 | [[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]methylphosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)CNC(=O)C(=N\OC)/c1nc(sc1)N |
| SMILES_CANONICAL | CACTVS | 3.341 | CO\N=C(/C(=O)NC[P](O)(O)=O)c1csc(N)n1 |
| SMILES | CACTVS | 3.341 | CON=C(C(=O)NC[P](O)(O)=O)c1csc(N)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CO/N=C(/c1csc(n1)N)\C(=O)NCP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CON=C(c1csc(n1)N)C(=O)NCP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H11N4O5PS/c1-16-11-5(4-2-18-7(8)10-4)6(12)9-3-17(13,14)15/h2H,3H2,1H3,(H2,8,10)(H,9,12)(H2,13,14,15)/b11-5- |
| InChIKey | InChI | 1.03 | NUSMEMKZJLGCTR-WZUFQYTHSA-N |
