| PDB CCD ID: | BEU |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C9 H16 N2 O4 |
| InChI: | InChI=1S/C9H16N2O4/c1-4(13)11-7-6(10)2-5(3-12)8(14)9(7)15/h2,6-9,12,14-15H,3,10H2,1H3,(H,11,13)/t6-,7+,8-,9-/m1/s1 |
| InChIKey: | WWUMIYBLWZAJTD-BZNPZCIMSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | CC(=O)N[C@H]1[C@H](N)C=C(CO)[C@@H](O)[C@@H]1O | | ACDLabs 10.04 | O=C(NC1C(C=C(C(O)C1O)CO)N)C | | OpenEye OEToolkits 1.5.0 | CC(=O)N[C@H]1[C@@H](C=C([C@H]([C@@H]1O)O)CO)N | | CACTVS 3.341 | CC(=O)N[CH]1[CH](N)C=C(CO)[CH](O)[CH]1O | | OpenEye OEToolkits 1.5.0 | CC(=O)NC1C(C=C(C(C1O)O)CO)N |
|
| Name: | N-[(1S,2R,5R,6R)-2-AMINO-5,6-DIHYDROXY-4-(HYDROXYMETHYL)CYCLOHEX-3-EN-1-YL]ACETAMIDE;
2-ACETYLAMINO-2-DEOXY-1-EPIVALIENAMINE |
| ZINC: | ZINC000016052248 |
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