4S8
Summary
| Name: | N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(2-sulfanylethyl)-beta-alaninamide |
| Formula: | C11 H23 N2 O6 P S |
| Formal charge: | 0 |
| Formula weight: | 342.349 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(2-sulfanylethyl)-beta-alaninamide |
| OpenEye OEToolkits | 1.9.2 | [(3R)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(2-sulfanylethylamino)propyl]amino]butyl] dihydrogen phosphite |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCS |
| 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/h9,15,17-18,21H,3-7H2,1-2H3,(H,12,14)(H,13,16)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | RNNGKQPQDOFMRA-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(COP(O)O)[C@@H](O)C(=O)NCCC(=O)NCCS |
| SMILES | CACTVS | 3.385 | CC(C)(COP(O)O)[CH](O)C(=O)NCCC(=O)NCCS |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)(COP(O)O)[C@H](C(=O)NCCC(=O)NCCS)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)(COP(O)O)C(C(=O)NCCC(=O)NCCS)O |
