Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NCCCC(N)C(=O)O)CCCCCCCCCCC |
SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCCCCCC(=O)NCCC[C@H](N)C(O)=O |
SMILES | CACTVS | 3.341 | CCCCCCCCCCCC(=O)NCCC[CH](N)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCC(=O)NCCC[C@@H](C(=O)O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCC(=O)NCCCC(C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C17H34N2O3/c1-2-3-4-5-6-7-8-9-10-13-16(20)19-14-11-12-15(18)17(21)22/h15H,2-14,18H2,1H3,(H,19,20)(H,21,22)/t15-/m0/s1 |
InChIKey | InChI | 1.03 | FISWIEVEEGBZND-HNNXBMFYSA-N |