Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC(C(O)C(=O)NCCC(=O)NCCCCC)(C)C |
InChI | InChI | 1.03 | InChI=1S/C14H28N2O3/c1-5-6-7-9-15-11(17)8-10-16-13(19)12(18)14(2,3)4/h12,18H,5-10H2,1-4H3,(H,15,17)(H,16,19)/t12-/m0/s1 |
InChIKey | InChI | 1.03 | ZNKPIBQTIYRSDI-LBPRGKRZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)C |
SMILES | CACTVS | 3.385 | CCCCCNC(=O)CCNC(=O)[CH](O)C(C)(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)C)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CCCCCNC(=O)CCNC(=O)C(C(C)(C)C)O |