Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N1C(C(=O)NC)CC(O)C1)Cc2onc(c2)C |
InChI | InChI | 1.03 | InChI=1S/C12H17N3O4/c1-7-3-9(19-14-7)5-11(17)15-6-8(16)4-10(15)12(18)13-2/h3,8,10,16H,4-6H2,1-2H3,(H,13,18)/t8-,10+/m1/s1 |
InChIKey | InChI | 1.03 | RKIBNEDMQYMQFM-SCZZXKLOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc2onc(C)c2 |
SMILES | CACTVS | 3.385 | CNC(=O)[CH]1C[CH](O)CN1C(=O)Cc2onc(C)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1cc(on1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NC)O |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1cc(on1)CC(=O)N2CC(CC2C(=O)NC)O |