Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | ClC1CC(C(NC(O)C(O)O)CC1)C(O)OC |
SMILES_CANONICAL | CACTVS | 3.341 | CO[C@@H](O)[C@H]1C[C@@H](Cl)CC[C@@H]1N[C@@H](O)C(O)O |
SMILES | CACTVS | 3.341 | CO[CH](O)[CH]1C[CH](Cl)CC[CH]1N[CH](O)C(O)O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COC(C1CC(CCC1NC(C(O)O)O)Cl)O |
SMILES | OpenEye OEToolkits | 1.5.0 | COC(C1CC(CCC1NC(C(O)O)O)Cl)O |
InChI | InChI | 1.03 | InChI=1S/C10H20ClNO5/c1-17-10(16)6-4-5(11)2-3-7(6)12-8(13)9(14)15/h5-10,12-16H,2-4H2,1H3/t5-,6?,7-,8?,10+/m0/s1 |
InChIKey | InChI | 1.03 | ZCXQIUYGWAQWDL-MOQQMVQXSA-N |