Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | F[Al-](F)(F)OC(=O)NC(C(N)C)CCCCCC(=O)O |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](N)[C@@H](CCCCCC(O)=O)NC(=O)O[Al-](F)(F)F |
SMILES | CACTVS | 3.341 | C[CH](N)[CH](CCCCCC(O)=O)NC(=O)O[Al-](F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H]([C@@H](CCCCCC(=O)O)NC(=O)O[Al-](F)(F)F)N |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(CCCCCC(=O)O)NC(=O)O[Al-](F)(F)F)N |
InChI | InChI | 1.03 | InChI=1S/C10H20N2O4.Al.3FH/c1-7(11)8(12-10(15)16)5-3-2-4-6-9(13)14;;;;/h7-8,12H,2-6,11H2,1H3,(H,13,14)(H,15,16);;3*1H/q;+3;;;/p-4/t7-,8+;;;;/m0..../s1 |
InChIKey | InChI | 1.03 | YXYIADHJEQLYPU-JWQBCWJNSA-J |