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Summary
| Name: | N~3~-[(2R)-2-hydroxy-4-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-3,3-dimethylbutanoyl]-beta-alaninamide |
| Formula: | C9 H20 N2 O10 P2 |
| Formal charge: | 0 |
| Formula weight: | 378.21 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~3~-[(2R)-2-hydroxy-4-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-3,3-dimethylbutanoyl]-beta-alaninamide |
| OpenEye OEToolkits | 1.7.6 | [(3R)-4-[(3-azanyl-3-oxidanylidene-propyl)amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] phosphono hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OP(=O)(OCC(C)(C)C(O)C(=O)NCCC(=O)N)O |
| InChI | InChI | 1.03 | InChI=1S/C9H20N2O10P2/c1-9(2,5-20-23(18,19)21-22(15,16)17)7(13)8(14)11-4-3-6(10)12/h7,13H,3-5H2,1-2H3,(H2,10,12)(H,11,14)(H,18,19)(H2,15,16,17)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | GAYRHYNVDBMBQF-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)(CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)C(=O)NCCC(N)=O |
| SMILES | CACTVS | 3.370 | CC(C)(CO[P](O)(=O)O[P](O)(O)=O)[CH](O)C(=O)NCCC(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)(COP(=O)(O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)N)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)(COP(=O)(O)OP(=O)(O)O)C(C(=O)NCCC(=O)N)O |
