AFS
Summary
| Name: | N-[(1R)-1-phosphonoethyl]-L-alaninamide |
| Synonyms: | Alafosfalin |
| Formula: | C5 H13 N2 O4 P |
| Formal charge: | 0 |
| Formula weight: | 196.141 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(1R)-1-phosphonoethyl]-L-alaninamide |
| OpenEye OEToolkits | 1.7.6 | [(1R)-1-[[(2S)-2-azanylpropanoyl]amino]ethyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC(C)P(=O)(O)O)C(N)C |
| InChI | InChI | 1.03 | InChI=1S/C5H13N2O4P/c1-3(6)5(8)7-4(2)12(9,10)11/h3-4H,6H2,1-2H3,(H,7,8)(H2,9,10,11)/t3-,4+/m0/s1 |
| InChIKey | InChI | 1.03 | BHAYDBSYOBONRV-IUYQGCFVSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@H](N)C(=O)N[C@@H](C)[P](O)(O)=O |
| SMILES | CACTVS | 3.370 | C[CH](N)C(=O)N[CH](C)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H](C(=O)N[C@@H](C)P(=O)(O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C(=O)NC(C)P(=O)(O)O)N |
