Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NC(C(=O)N1C(C(=O)O)CCC1)C(C)CC)C2OC2C(=O)OCC |
SMILES_CANONICAL | CACTVS | 3.352 | CCOC(=O)[C@@H]1O[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(O)=O |
SMILES | CACTVS | 3.352 | CCOC(=O)[CH]1O[CH]1C(=O)N[CH]([CH](C)CC)C(=O)N2CCC[CH]2C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H]2[C@@H](O2)C(=O)OCC |
SMILES | OpenEye OEToolkits | 1.7.0 | CCC(C)C(C(=O)N1CCCC1C(=O)O)NC(=O)C2C(O2)C(=O)OCC |
InChI | InChI | 1.03 | InChI=1S/C17H26N2O7/c1-4-9(3)11(15(21)19-8-6-7-10(19)16(22)23)18-14(20)12-13(26-12)17(24)25-5-2/h9-13H,4-8H2,1-3H3,(H,18,20)(H,22,23)/t9-,10-,11-,12+,13+/m0/s1 |
InChIKey | InChI | 1.03 | RFNNDNGXWCBNGK-JZRPKSSGSA-N |