| PDB CCD ID: | YOZ |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C12 H22 N4 O3 |
| InChI: | InChI=1S/C12H22N4O3/c13-12(19)4-1-10(16(7-12)8-17)11(18)15-9-2-5-14-6-3-9/h8-10,14,19H,1-7,13H2,(H,15,18)/t10-,12+/m0/s1 |
| InChIKey: | SWVCDWJYHKCKJJ-CMPLNLGQSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | C1CC(CN(C1C(=O)NC2CCNCC2)C=O)(N)O | | CACTVS 3.385 | N[C]1(O)CC[CH](N(C1)C=O)C(=O)NC2CCNCC2 | | OpenEye OEToolkits 2.0.7 | C1C[C@@](CN([C@@H]1C(=O)NC2CCNCC2)C=O)(N)O | | CACTVS 3.385 | N[C@@]1(O)CC[C@H](N(C1)C=O)C(=O)NC2CCNCC2 | | ACDLabs 12.01 | OC1(N)CCC(C(=O)NC2CCNCC2)N(C=O)C1 |
|
| Name: | (2S,5R)-5-amino-1-formyl-5-hydroxy-N-(piperidin-4-yl)piperidine-2-carboxamide;
Relebactam, the acylated, desulfated, imine-hydrolysis intermediate |
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