A1L2H
Summary
| Name: | [(~{S})-(4-hexoxyphenyl)-[2-[methyl(oxidanyl)amino]-2-oxidanylidene-ethyl]sulfanyl-methyl]phosphonic acid |
| Formula: | C16 H26 N O6 P S |
| Formal charge: | 0 |
| Formula weight: | 391.42 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(~{S})-(4-hexoxyphenyl)-[2-[methyl(oxidanyl)amino]-2-oxidanylidene-ethyl]sulfanyl-methyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H26NO6PS/c1-3-4-5-6-11-23-14-9-7-13(8-10-14)16(24(20,21)22)25-12-15(18)17(2)19/h7-10,16,19H,3-6,11-12H2,1-2H3,(H2,20,21,22)/t16-/m0/s1 |
| InChIKey | InChI | 1.06 | MYKXVMXVVQHLFD-INIZCTEOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCOc1ccc(cc1)[C@H](SCC(=O)N(C)O)[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | CCCCCCOc1ccc(cc1)[CH](SCC(=O)N(C)O)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCOc1ccc(cc1)[C@@H](P(=O)(O)O)SCC(=O)N(C)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCOc1ccc(cc1)C(P(=O)(O)O)SCC(=O)N(C)O |
