| PDB CCD ID: | 09X |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C7 H12 Br N O5 |
| InChI: | InChI=1S/C7H12BrNO5/c8-1-4(11)9-7-6(13)5(12)3(2-10)14-7/h3,5-7,10,12-13H,1-2H2,(H,9,11)/t3-,5-,6+,7+/m0/s1 |
| InChIKey: | VXNDJHIRTVJHQB-DOAVWBMOSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | C([C@H]1[C@@H]([C@H]([C@@H](O1)NC(=O)CBr)O)O)O | | CACTVS 3.385 | OC[CH]1O[CH](NC(=O)CBr)[CH](O)[CH]1O | | OpenEye OEToolkits 2.0.7 | C(C1C(C(C(O1)NC(=O)CBr)O)O)O | | CACTVS 3.385 | OC[C@@H]1O[C@@H](NC(=O)CBr)[C@H](O)[C@H]1O |
|
| Name: | 2-bromanyl-N-[(2R,3R,4R,5S}-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]ethanamide |
| ChEMBL: | CHEMBL5190500 |
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