| PDB CCD ID: | XFG |
| Number of entries in BioLiP: | 6 |
| Chemical formula: | C8 H18 B N2 O5 |
| InChI: | InChI=1S/C8H18BN2O5/c10-6-4-11-7(8(12)13)5(6)2-1-3-9(14,15)16/h5-7,11,14-16H,1-4,10H2,(H,12,13)/q-1/t5-,6+,7+/m1/s1 |
| InChIKey: | LCXKCSYMGHLIAH-VQVTYTSYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | N[C@H]1CN[C@@H]([C@@H]1CCC[B-](O)(O)O)C(O)=O | | ACDLabs 12.01 | N1CC(C(C1C(O)=O)CCC[B-](O)(O)O)N | | OpenEye OEToolkits 2.0.7 | [B-](CCCC1C(CNC1C(=O)O)N)(O)(O)O | | CACTVS 3.385 | N[CH]1CN[CH]([CH]1CCC[B-](O)(O)O)C(O)=O | | OpenEye OEToolkits 2.0.7 | [B-](CCC[C@@H]1[C@H](CN[C@@H]1C(=O)O)N)(O)(O)O |
|
| Name: | 3-[(2~{S},3~{R},4~{R})-4-azanyl-2-carboxy-pyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boron |
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