1-[(2S,3R)-1-ethylsulfonyl-2-(hydroxymethyl)-3-[4-(4-methylphenyl)phenyl]-1,6-diazaspiro[3.3]heptan-6-yl]-1-propanone

Properties Image MNX_ID MNXM339412 reference chebi:125725 formula C24H30N2O4S global charge 0 mol weight 442.581 InChIKey SVOCWFRBGOZTRL-FYYLOGMGSA-N InChI InChI=1S/C24H30N2O4S/c1-4-22(28)25-15-24(16-25)23(21(14-27)26(24)31(29,30)5-2)20-12-10-19(11-13-20)18-8-6-17(3)7-9-18/h6-13,21,23,27H,4-5,14-16H2,1-3H3/t21-,23-/m1/s1 SMILES CCC(=O)N1CC2(C1)[C@H](C1=CC=C(C3=CC=C(C)C=C3)C=C1)[C@@H](CO)N2S(=O)(=O)CC MNX internals InChI (mnx) InChI=1/C24H30N2O4S/c1-4-22(28)25-15-24(16-25)23(21(14-27)26(24)31(29,30)5-2)20-12-10-19(11-13-20)18-8-6-17(3)7-9-18/h6-13,21,23,27H,4-5,14-16H2,1-3H3/t21-,23-/m1/s1 SMILES (mnx) [CH3:1][CH2:4][C:22]([N:25]1[CH2:15][C:24]2([CH2:16]1)[C@H:23]([C:20]1=[CH:13][CH:11]=[C:19]([C:18]3=[CH:9][CH:7]=[C:17]([CH3:3])[CH:6]=[CH:8]3)[CH:10]=[CH:12]1)[C@@H:21]([CH2:14][OH:27])[N:26]2[S:31]([CH2:5][CH3:2])(=[O:29])=[O:30])=[O:28]

Parent-child relations graph

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