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Name

ZINC000279319971

IUPAC name

Methyl (3S)-1-[(2R)-2-hydroxy-3-(naphthalen-2-yl)propyl]pyrrolidine-3-carboxylate

ID 14881 · Formula C₁₉H₂₃NO₃ · Molecular weight 313.391

InChI InChI=1S/C19H23NO3/c1-23-19(22)17-8-9-20(12-17)13-18(21)11-14-6-7-15-4-2-3-5-16(15)10-14/h2-7,10,17-18,21H,8-9,11-13H2,1H3/t17-,18+/m0/s1

InChI Key FZKDBDGCAKNTID-ZWKOTPCHSA-N This stereoisomer Any stereoisomer

SMILES COC(=O)[C@H]1CCN(C1)C[C@@H](Cc1ccc2c(c1)cccc2)O

Singh, I; Seth, A; Billesbølle, CB; Braz, J; Rodriguiz, RM; Roy, K; Bekele, B; Craik, V; Huang, X; Boytsov, D; Pogorelov, VM; Lak, P; O’Donnell, H; Sandtner, W; Irwin, JJ; Roth, BL; Basbaum, AI; Wetsel, WC; Manglik, A; Shoichet, BK; Rudnick, G. Structure-based discovery of conformationally selective inhibitors of the serotonin transporter Cell, 1 May 2023, 186 (10), 2160-2175.e17. 20.5 MB. https://doi.org/10.1016/j.cell.2023.04.010 #ZINC000279319971

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7 Dec 2019 · · Isomer Design