| PDB CCD ID: | F34 |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C8 H16 N2 O4 |
| InChI: | InChI=1S/C8H16N2O4/c1-4(11)10-5-2-9-3-6(12)8(14)7(5)13/h5-9,12-14H,2-3H2,1H3,(H,10,11)/t5-,6+,7+,8+/m0/s1 |
| InChIKey: | RGHXJBVAPJFIEQ-LXGUWJNJSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.6.1 | CC(=O)N[C@H]1CNC[C@H]([C@H]([C@@H]1O)O)O | | ACDLabs 10.04 | O=C(NC1CNCC(O)C(O)C1O)C | | CACTVS 3.352 | CC(=O)N[C@H]1CNC[C@@H](O)[C@@H](O)[C@@H]1O | | OpenEye OEToolkits 1.6.1 | CC(=O)NC1CNCC(C(C1O)O)O | | CACTVS 3.352 | CC(=O)N[CH]1CNC[CH](O)[CH](O)[CH]1O |
|
| Name: | N-[(3S,4R,5R,6R)-4,5,6-trihydroxyazepan-3-yl]acetamide |
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