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| Ligand Name: RC-(RP,SP)-1,2-dibutylcarbamoyl-glycero-3-O-p-nitrophenyl butylphosphonate |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB629 |
PubChem:
- |
| Synonym(s):
-
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: CCCCC(=O)OCC(COC(=O)CCCC)O[P@@](=O)(CCCC)Oc1ccc([N+]([O-])=O)cc1 |
| Standard InChI: InChI=1S/C23H36NO9P/c1-4-7-10-22(25)30-17-21(18-31-23(26)11-8-5-2)33-34(29,16-9-6-3)32-20-14-12-19(13-15-20)24(27)28/h12-15,21H,4-11,16-18H2,1-3H3/t34-/m1/s1 |
| Molecular Formula: C23H36NO9P |
Mol. Weight: 501.21277 |
logP: 5.8188 |
| HBD: 0 | HBA: 9 |
| #Rotatable Bonds: 18 | TPSA: 131.27 |