| PDB CCD ID: | HN2 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C16 H21 N O4 |
| InChI: | InChI=1S/C16H21NO4/c18-12-7-6-11(17-9-14(20)16(21)15(12)17)8-13(19)10-4-2-1-3-5-10/h1-5,11-12,14-16,18,20-21H,6-9H2/t11-,12-,14-,15-,16-/m1/s1 |
| InChIKey: | HEBIMHSFXQMUTK-CCECPURYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | c1ccc(cc1)C(=O)C[C@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O | | CACTVS 3.341 | O[C@@H]1CC[C@H](CC(=O)c2ccccc2)N3C[C@@H](O)[C@@H](O)[C@@H]13 | | OpenEye OEToolkits 1.5.0 | c1ccc(cc1)C(=O)CC2CCC(C3N2CC(C3O)O)O | | CACTVS 3.341 | O[CH]1CC[CH](CC(=O)c2ccccc2)N3C[CH](O)[CH](O)[CH]13 | | ACDLabs 10.04 | O=C(c1ccccc1)CC2N3C(C(O)CC2)C(O)C(O)C3 |
|
| Name: | 1-phenyl-2-[(1S,2R,5R,8R,8aR)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone;
(1S,2R,5R,8R,8aR)-5-[2'-oxo-2'-(phenyl)ethyl]-1,2,8-trihydroxy-indolizidine |
| ZINC: | ZINC000058633012 |
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