K6L
Summary
| Name: | [(2~{R})-2-[5-(2-hexylphenyl)pentanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate |
| Formula: | C20 H34 N O6 P |
| Formal charge: | 0 |
| Formula weight: | 415.461 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{R})-2-[5-(2-hexylphenyl)pentanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H34NO6P/c1-2-3-4-5-10-17-11-6-7-12-18(17)13-8-9-14-20(23)21-19(15-22)16-27-28(24,25)26/h6-7,11-12,19,22H,2-5,8-10,13-16H2,1H3,(H,21,23)(H2,24,25,26)/t19-/m1/s1 |
| InChIKey | InChI | 1.06 | LYWONSBDWRVEKO-LJQANCHMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCc1ccccc1CCCCC(=O)N[C@H](CO)CO[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | CCCCCCc1ccccc1CCCCC(=O)N[CH](CO)CO[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCc1ccccc1CCCCC(=O)N[C@H](CO)COP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCc1ccccc1CCCCC(=O)NC(CO)COP(=O)(O)O |
