Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C2NC(=O)CC(CC(O)C1C(=O)C(C)CC(C)C1)C2 |
InChI | InChI | 1.03 | InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1 |
InChIKey | InChI | 1.03 | YPHMISFOHDHNIV-FSZOTQKASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC2CC(=O)NC(=O)C2 |
SMILES | CACTVS | 3.385 | C[CH]1C[CH](C)C(=O)[CH](C1)[CH](O)CC2CC(=O)NC(=O)C2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@H]1C[C@@H](C(=O)[C@@H](C1)[C@@H](CC2CC(=O)NC(=O)C2)O)C |
SMILES | OpenEye OEToolkits | 1.9.2 | CC1CC(C(=O)C(C1)C(CC2CC(=O)NC(=O)C2)O)C |