| PDB CCD ID: | 4WS |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C10 H18 N2 O4 |
| InChI: | InChI=1S/C10H18N2O4/c1-5(13)11-4-6-9(15)10(16)8-7(14)2-3-12(6)8/h6-10,14-16H,2-4H2,1H3,(H,11,13)/t6-,7+,8-,9-,10-/m1/s1 |
| InChIKey: | HSDCYPQIPOCAJF-JDDHQFAOSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=C(C)NCC1N2C(C(C1O)O)C(CC2)O | | CACTVS 3.385 | CC(=O)NC[CH]1[CH](O)[CH](O)[CH]2[CH](O)CCN12 | | CACTVS 3.385 | CC(=O)NC[C@@H]1[C@@H](O)[C@H](O)[C@H]2[C@@H](O)CCN12 | | OpenEye OEToolkits 1.9.2 | CC(=O)NCC1C(C(C2N1CCC2O)O)O | | OpenEye OEToolkits 1.9.2 | CC(=O)NC[C@@H]1[C@H]([C@@H]([C@@H]2N1CC[C@@H]2O)O)O |
|
| Name: | N-{[(1R,2R,3R,7S,7aR)-1,2,7-trihydroxyhexahydro-1H-pyrrolizin-3-yl]methyl}acetamide |
| ZINC: | ZINC000263620530 |
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