Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(OCC)CCC(NC(=O)OC(C)(C)C)CC1C(=O)NCC1 |
InChI | InChI | 1.03 | InChI=1S/C16H28N2O5/c1-5-22-13(19)7-6-12(10-11-8-9-17-14(11)20)18-15(21)23-16(2,3)4/h11-12H,5-10H2,1-4H3,(H,17,20)(H,18,21)/t11-,12+/m0/s1 |
InChIKey | InChI | 1.03 | VOUMGEIBLJTQJX-NWDGAFQWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)OC(C)(C)C |
SMILES | CACTVS | 3.385 | CCOC(=O)CC[CH](C[CH]1CCNC1=O)NC(=O)OC(C)(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)OC(C)(C)C |
SMILES | OpenEye OEToolkits | 1.9.2 | CCOC(=O)CCC(CC1CCNC1=O)NC(=O)OC(C)(C)C |