| PDB CCD ID: | A1B76 |
| Number of entries in FURNA: | 1 |
| Chemical formula: | C20 H23 F N2 O4 |
| InChI: | InChI=1S/C20H23FN2O4/c1-26-16-7-5-13(6-8-16)10-17-19(18(24)12-22-17)27-20(25)23-11-14-3-2-4-15(21)9-14/h2-9,17-19,22,24H,10-12H2,1H3,(H,23,25)/t17-,18+,19+/m1/s1 |
| InChIKey: | BFWNRLSHJYFEKF-QYZOEREBSA-N |
| SMILES: | COc1ccc(cc1)C[C@@H]2[C@@H]([C@H](CN2)O)OC(=O)NCc3cccc(c3)F; O=C(OC1C(Cc2ccc(OC)cc2)NCC1O)NCc1cccc(F)c1; COc1ccc(cc1)CC2C(C(CN2)O)OC(=O)NCc3cccc(c3)F; COc1ccc(C[C@H]2NC[C@H](O)[C@H]2OC(=O)NCc3cccc(F)c3)cc1; COc1ccc(C[CH]2NC[CH](O)[CH]2OC(=O)NCc3cccc(F)c3)cc1 |
| Name: | (2R,3S,4S)-4-hydroxy-2-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl [(3-fluorophenyl)methyl]carbamate |
Reference: