WA6
Summary
| Name: | (2S)-2-azanyl-2-cyclopropyl-2-(4-phosphonophenyl)ethanoic acid |
| Formula: | C11 H14 N O5 P |
| Formal charge: | 0 |
| Formula weight: | 271.206 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-2-cyclopropyl-2-(4-phosphonophenyl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H14NO5P/c12-11(10(13)14,7-1-2-7)8-3-5-9(6-4-8)18(15,16)17/h3-7H,1-2,12H2,(H,13,14)(H2,15,16,17)/t11-/m0/s1 |
| InChIKey | InChI | 1.06 | IGODGTDUQSMDQU-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@](C1CC1)(C(O)=O)c2ccc(cc2)[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | N[C](C1CC1)(C(O)=O)c2ccc(cc2)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1[C@@](C2CC2)(C(=O)O)N)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(C2CC2)(C(=O)O)N)P(=O)(O)O |
