Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(N(CC(O)C(O)C(O)C(O)CO)CCO)CC1CCCCC1 |
SMILES_CANONICAL | CACTVS | 3.341 | OCCN(C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)C(=O)CC1CCCCC1 |
SMILES | CACTVS | 3.341 | OCCN(C[CH](O)[CH](O)[CH](O)[CH](O)CO)C(=O)CC1CCCCC1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1CCC(CC1)CC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C1CCC(CC1)CC(=O)N(CCO)CC(C(C(C(CO)O)O)O)O |
InChI | InChI | 1.03 | InChI=1S/C16H31NO7/c18-7-6-17(14(22)8-11-4-2-1-3-5-11)9-12(20)15(23)16(24)13(21)10-19/h11-13,15-16,18-21,23-24H,1-10H2/t12-,13+,15-,16+/m1/s1 |
InChIKey | InChI | 1.03 | DIWWAIOQKLBBRJ-CLWVCHIJSA-N |