Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(C(C)C)CC(O)C(N)CC(C)C |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(O)=O |
SMILES | CACTVS | 3.370 | CC(C)C[CH](N)[CH](O)C[CH](C(C)C)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)O)O)N |
SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)CC(C(CC(C(C)C)C(=O)O)O)N |
InChI | InChI | 1.03 | InChI=1S/C12H25NO3/c1-7(2)5-10(13)11(14)6-9(8(3)4)12(15)16/h7-11,14H,5-6,13H2,1-4H3,(H,15,16)/t9-,10-,11-/m0/s1 |
InChIKey | InChI | 1.03 | MDQDVSMXVRRCRT-DCAQKATOSA-N |