| PDB CCD ID: | 4UG |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C9 H15 N3 O2 |
| InChI: | InChI=1S/C9H15N3O2/c10-5-8(13)7(11)4-6-2-1-3-12-9(6)14/h6-8,13H,1-4,11H2,(H,12,14)/t6-,7-,8-/m0/s1 |
| InChIKey: | POGZGLVXTKFCJL-FXQIFTODSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | N[C@@H](C[C@@H]1CCCNC1=O)[C@@H](O)C#N | | OpenEye OEToolkits 2.0.4 | C1C[C@H](C(=O)NC1)C[C@@H]([C@H](C#N)O)N | | CACTVS 3.385 | N[CH](C[CH]1CCCNC1=O)[CH](O)C#N | | OpenEye OEToolkits 2.0.4 | C1CC(C(=O)NC1)CC(C(C#N)O)N |
|
| Name: | (2~{R},3~{S})-3-azanyl-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepiperidin-3-yl]butanenitrile |
| ZINC: | ZINC000263620898 |
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