| PDB CCD ID: | A1HZ9 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C7 H18 B N2 O5 |
| InChI: | InChI=1S/C7H18BN2O5/c9-4-5(6(10)7(11)12)2-1-3-8(13,14)15/h5-6,13-15H,1-4,9-10H2,(H,11,12)/t5-,6+/m1/s1 |
| InChIKey: | YMMHYLNSFFXXCS-RITPCOANSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | NC[CH](CCC[B](O)(O)O)[CH](N)C(O)=O | | OpenEye OEToolkits 2.0.7 | B(CCC[C@H](CN)[C@@H](C(=O)O)N)(O)(O)O | | OpenEye OEToolkits 2.0.7 | B(CCCC(CN)C(C(=O)O)N)(O)(O)O | | CACTVS 3.385 | NC[C@@H](CCC[B](O)(O)O)[C@H](N)C(O)=O |
|
| Name: | [(4~{R},5~{S})-4-(aminomethyl)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]-tris(oxidanyl)boron |
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