1-azocanyl-[(2R,4R)-2-(4-hydroxybutoxy)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-yl]methanone

Properties Image MNX_ID MNXM343340 reference chebi:125185 formula C21H31NO4S global charge 0 mol weight 393.549 InChIKey MROKZHDMMQEAJY-FXAWDEMLSA-N InChI InChI=1S/C21H31NO4S/c23-12-6-7-13-25-20-16-17(19-9-8-14-27-19)15-18(26-20)21(24)22-10-4-2-1-3-5-11-22/h8-9,14-15,17,20,23H,1-7,10-13,16H2/t17-,20+/m0/s1 SMILES O=C(C1=C[C@H](C2=CC=CS2)C[C@H](OCCCCO)O1)N1CCCCCCC1 MNX internals InChI (mnx) InChI=1/C21H31NO4S/c23-12-6-7-13-25-20-16-17(19-9-8-14-27-19)15-18(26-20)21(24)22-10-4-2-1-3-5-11-22/h8-9,14-15,17,20,23H,1-7,10-13,16H2/t17-,20+/m0/s1 SMILES (mnx) [CH2:1]1[CH2:2][CH2:4][CH2:10][N:22]([C:21]([C:18]2=[CH:15][C@H:17]([C:19]3=[CH:9][CH:8]=[CH:14][S:27]3)[CH2:16][C@H:20]([O:25][CH2:13][CH2:7][CH2:6][CH2:12][OH:23])[O:26]2)=[O:24])[CH2:11][CH2:5][CH2:3]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0