| PDB CCD ID: | QRA |
| Number of entries in BioLiP: | 6 |
| Chemical formula: | C12 H24 B N2 O5 |
| InChI: | InChI=1S/C12H24BN2O5/c14-12(10(16)17)8-11(4-2-6-15-11)7-9(12)3-1-5-13(18,19)20/h9,15,18-20H,1-8,14H2,(H,16,17)/q-1/t9-,11-,12-/m0/s1 |
| InChIKey: | VWVXVOZFOIRCBA-DLOVCJGASA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | [B-](CCCC1CC2(CCCN2)CC1(C(=O)O)N)(O)(O)O | | CACTVS 3.385 | N[C]1(C[C]2(CCCN2)C[CH]1CCC[B-](O)(O)O)C(O)=O | | ACDLabs 12.01 | N1CCCC12CC(C(C(O)=O)(C2)N)CCC[B-](O)(O)O | | OpenEye OEToolkits 2.0.7 | [B-](CCC[C@H]1C[C@@]2(CCCN2)C[C@]1(C(=O)O)N)(O)(O)O | | CACTVS 3.385 | N[C@]1(C[C@]2(CCCN2)C[C@@H]1CCC[B-](O)(O)O)C(O)=O |
|
| Name: | 3-[(5~{S},7~{S},8~{S})-8-azanyl-8-carboxy-1-azaspiro[4.4]nonan-7-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide |
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