K7K
Summary
| Name: | 2-azanyl-3-[hexyl-[2-(3-oxidanylpyridin-2-yl)pyridin-3-yl]oxy-phosphoryl]oxy-propanal |
| Formula: | C19 H26 N3 O6 P |
| Formal charge: | 0 |
| Formula weight: | 423.4 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-3-[hexyl-[2-(3-oxidanylpyridin-2-yl)pyridin-3-yl]oxy-phosphoryl]oxy-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H26N3O6P/c1-2-3-4-5-12-29(26,27-13-14(20)19(24)25)28-16-9-7-11-22-18(16)17-15(23)8-6-10-21-17/h6-11,14,23H,2-5,12-13,20H2,1H3,(H,24,25)/t14-,29-/m0/s1 |
| InChIKey | InChI | 1.03 | XBHSCEFLQPYSRV-MMEWPQADSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCC[P@](=O)(OC[C@H](N)C(O)=O)Oc1cccnc1c2ncccc2O |
| SMILES | CACTVS | 3.385 | CCCCCC[P](=O)(OC[CH](N)C(O)=O)Oc1cccnc1c2ncccc2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCC[P@](=O)(OC[C@@H](C(=O)O)N)Oc1cccnc1c2c(cccn2)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCP(=O)(OCC(C(=O)O)N)Oc1cccnc1c2c(cccn2)O |
