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 |