| PDB CCD ID: | A1IWA |
| Number of entries in FURNA: | 1 |
| Chemical formula: | C16 H19 N O4 |
| InChI: | InChI=1S/C16H19NO4/c1-3-8-20-13-6-4-12(5-7-13)9-14-16(21-11(2)18)15(19)10-17-14/h1,4-7,14-17,19H,8-10H2,2H3/t14-,15+,16+/m1/s1 |
| InChIKey: | ZCMDJPGGPUGBJT-PMPSAXMXSA-N |
| SMILES: | CC(=O)O[CH]1[CH](O)CN[CH]1Cc2ccc(OCC#C)cc2; CC(=O)O[C@@H]1[C@@H](O)CN[C@@H]1Cc2ccc(OCC#C)cc2; CC(=O)OC1C(CNC1Cc2ccc(cc2)OCC#C)O; CC(=O)O[C@@H]1[C@H](CN[C@@H]1Cc2ccc(cc2)OCC#C)O |
| Name: | [(2R,3S,4S)-4-oxidanyl-2-[(4-prop-2-ynoxyphenyl)methyl]pyrrolidin-3-yl] ethanoate |
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