5PD
Summary
| Name: | (R)-3-hydroxy-4-((3-((2-mercaptoethyl)amino)-3-oxopropyl)amino)-2,2-dimethyl-4-oxobutyl hydrogen phosphonate |
| Formula: | C11 H23 N2 O6 P S |
| Formal charge: | 0 |
| Formula weight: | 342.349 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | [(3~{R})-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(2-sulfanylethylamino)propyl]amino]butoxy]phosphinic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H23N2O6PS/c1-11(2,7-19-20(17)18)9(15)10(16)13-4-3-8(14)12-5-6-21/h9,15,20-21H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H,17,18)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | YXOTVSUMWFLVRX-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(CO[PH](O)=O)[C@@H](O)C(=O)NCCC(=O)NCCS |
| SMILES | CACTVS | 3.385 | CC(C)(CO[PH](O)=O)[CH](O)C(=O)NCCC(=O)NCCS |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CC(C)(COP(=O)O)[C@H](C(=O)NCCC(=O)NCCS)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | CC(C)(COP(=O)O)C(C(=O)NCCC(=O)NCCS)O |
