Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(N)CCCCNC(=O)CCCCCCCCCCCCC |
InChI | InChI | 1.03 | InChI=1S/C20H40N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-16-19(23)22-17-14-13-15-18(21)20(24)25/h18H,2-17,21H2,1H3,(H,22,23)(H,24,25)/t18-/m0/s1 |
InChIKey | InChI | 1.03 | XTLFOGNEQSPWGW-SFHVURJKSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCCCCCCCCCCCCC(=O)NCCCC[C@H](N)C(O)=O |
SMILES | CACTVS | 3.370 | CCCCCCCCCCCCCC(=O)NCCCC[CH](N)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)N |
SMILES | OpenEye OEToolkits | 1.7.2 | CCCCCCCCCCCCCC(=O)NCCCCC(C(=O)O)N |