| PDB CCD ID: | VV4 |
| Number of entries in BioLiP: | 6 |
| Chemical formula: | C10 H20 B N2 O5 |
| InChI: | 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: | LAVGLMPTAZJTQK-WEDXCCLWSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | O[B-](O)(O)CCCC1C2NCCC1(NC2)C(=O)O | | CACTVS 3.385 | OC(=O)[C]12CCN[CH](CN1)[CH]2CCC[B-](O)(O)O | | OpenEye OEToolkits 2.0.7 | [B-](CCCC1C2CNC1(CCN2)C(=O)O)(O)(O)O | | OpenEye OEToolkits 2.0.7 | [B-](CCC[C@@H]1[C@@H]2CN[C@]1(CCN2)C(=O)O)(O)(O)O | | CACTVS 3.385 | OC(=O)[C@@]12CCN[C@@H](CN1)[C@H]2CCC[B-](O)(O)O |
|
| Name: | 3-[(1~{R},5~{S},8~{R})-5-carboxy-2,6-diazabicyclo[3.2.1]octan-8-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide |
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