| PDB CCD ID: | VUY |
| Number of entries in BioLiP: | 6 |
| Chemical formula: | C9 H17 B N O5 S |
| InChI: | InChI=1S/C9H17BNO5S/c12-8(13)7-9(2-1-3-10(14,15)16)5-17-6(9)4-11-7/h6-7,11,14-16H,1-5H2,(H,12,13)/q-1/t6-,7+,9-/m0/s1 |
| InChIKey: | UPRXFJNZWUYSLX-OOZYFLPDSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | [B-](CCCC12CSC1CNC2C(=O)O)(O)(O)O | | OpenEye OEToolkits 2.0.7 | [B-](CCC[C@]12CS[C@H]1CN[C@@H]2C(=O)O)(O)(O)O | | CACTVS 3.385 | OC(=O)[CH]1NC[CH]2SC[C]12CCC[B-](O)(O)O | | ACDLabs 12.01 | O=C(O)C1NCC2SCC12CCC[B-](O)(O)O | | CACTVS 3.385 | OC(=O)[C@H]1NC[C@@H]2SC[C@]12CCC[B-](O)(O)O |
|
| Name: | 3-[(1~{S},2~{S},5~{R})-2-carboxy-6-thia-3-azabicyclo[3.2.0]heptan-1-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide |
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