Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NC(CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCC |
SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=O)CCCCC |
SMILES | CACTVS | 3.341 | CCCCCCCCCCCCCC=C[CH](O)[CH](CO)NC(=O)CCCCC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCCC\C=C\[C@H]([C@H](CO)NC(=O)CCCCC)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCC)O |
InChI | InChI | 1.03 | InChI=1S/C24H47NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-19-23(27)22(21-26)25-24(28)20-17-6-4-2/h18-19,22-23,26-27H,3-17,20-21H2,1-2H3,(H,25,28)/b19-18+/t22-,23+/m0/s1 |
InChIKey | InChI | 1.03 | NPRJSFWNFTXXQC-QFWQFVLDSA-N |