Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O[B-](O)(O)CCCC1C2NCCC1(NC2)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C10H20BN2O5/c14-9(15)10-3-5-12-8(6-13-10)7(10)2-1-4-11(16,17)18/h7-8,12-13,16-18H,1-6H2,(H,14,15)/q-1/t7-,8+,10+/m1/s1 |
InChIKey | InChI | 1.03 | LAVGLMPTAZJTQK-WEDXCCLWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@]12CCN[C@@H](CN1)[C@H]2CCC[B-](O)(O)O |
SMILES | CACTVS | 3.385 | OC(=O)[C]12CCN[CH](CN1)[CH]2CCC[B-](O)(O)O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [B-](CCC[C@@H]1[C@@H]2CN[C@]1(CCN2)C(=O)O)(O)(O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | [B-](CCCC1C2CNC1(CCN2)C(=O)O)(O)(O)O |