| PDB CCD ID: | C8Y |
| Number of entries in BioLiP: | 6 |
| Chemical formula: | C7 H11 N3 O5 S |
| InChI: | InChI=1S/C7H11N3O5S/c8-3-7-2-1-6(4-10(7)5-11)9-15-16(12,13)14/h5-7,9H,1-2,4H2,(H,12,13,14)/t6-,7+/m1/s1 |
| InChIKey: | QMRJJHLCVKRXGQ-RQJHMYQMSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=S(O)(=O)ONC1CCC(C#N)N(C=O)C1 | | OpenEye OEToolkits 2.0.6 | C1CC(N(CC1NOS(=O)(=O)O)C=O)C#N | | CACTVS 3.385 | O[S](=O)(=O)ON[CH]1CC[CH](C#N)N(C1)C=O | | OpenEye OEToolkits 2.0.6 | C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C#N | | CACTVS 3.385 | O[S](=O)(=O)ON[C@@H]1CC[C@@H](C#N)N(C1)C=O |
|
| Name: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile;
open form - WCK 4234 |
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