BFD
Summary
| Name: | ASPARTATE BERYLLIUM TRIFLUORIDE |
| Formula: | C4 H6 Be F3 N O4 |
| Formal charge: | -2 |
| Formula weight: | 198.102 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (L-aspartato-kappaO~4~)(trifluoro)beryllate(2-) |
| OpenEye OEToolkits | 1.5.0 | [(3S)-3-amino-4-hydroxy-4-oxo-butanoyl]oxy-trifluoro-beryllium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O[Be-2](F)(F)F)CC(N)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CC(=O)O[Be--](F)(F)F)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CC(=O)O[Be--](F)(F)F)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [Be-2](OC(=O)C[C@@H](C(=O)O)N)(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | [Be-2](OC(=O)CC(C(=O)O)N)(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C4H7NO4.Be.3FH/c5-2(4(8)9)1-3(6)7;;;;/h2H,1,5H2,(H,6,7)(H,8,9);;3*1H/q;+2;;;/p-4/t2-;;;;/m0..../s1 |
| InChIKey | InChI | 1.03 | AHUXVQYBCVIJSZ-AIDJSRAFSA-J |
