A1H8U
Summary
| Name: | [(~{R})-(2-hydroxyphenyl)-(2-thiophen-3-ylethanoylamino)methyl]phosphonic acid |
| Formula: | C13 H14 N O5 P S |
| Formal charge: | 0 |
| Formula weight: | 327.293 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(~{R})-(2-hydroxyphenyl)-(2-thiophen-3-ylethanoylamino)methyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H14NO5PS/c15-11-4-2-1-3-10(11)13(20(17,18)19)14-12(16)7-9-5-6-21-8-9/h1-6,8,13,15H,7H2,(H,14,16)(H2,17,18,19)/t13-/m0/s1 |
| InChIKey | InChI | 1.06 | MGEYOJAOHCRYME-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccccc1[C@@H](NC(=O)Cc2cscc2)[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | Oc1ccccc1[CH](NC(=O)Cc2cscc2)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)[C@H](NC(=O)Cc2ccsc2)P(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C(NC(=O)Cc2ccsc2)P(=O)(O)O)O |
