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

Properties Image MNX_ID MNXM339417 reference chebi:129946 formula C23H28N2O4S global charge 0 mol weight 428.554 InChIKey FPWPEMULKRPRSL-IFMALSPDSA-N InChI InChI=1S/C23H28N2O4S/c1-4-21(27)24-14-23(15-24)22(20(13-26)25(23)30(3,28)29)18-10-8-17(9-11-18)19-7-5-6-16(2)12-19/h5-12,20,22,26H,4,13-15H2,1-3H3/t20-,22-/m1/s1 SMILES CCC(=O)N1CC2(C1)[C@H](C1=CC=C(C3=CC(C)=CC=C3)C=C1)[C@@H](CO)N2S(C)(=O)=O MNX internals InChI (mnx) InChI=1/C23H28N2O4S/c1-4-21(27)24-14-23(15-24)22(20(13-26)25(23)30(3,28)29)18-10-8-17(9-11-18)19-7-5-6-16(2)12-19/h5-12,20,22,26H,4,13-15H2,1-3H3/t20-,22-/m1/s1 SMILES (mnx) [CH3:1][CH2:4][C:21]([N:24]1[CH2:14][C:23]2([CH2:15]1)[C@H:22]([C:18]1=[CH:11][CH:9]=[C:17]([C:19]3=[CH:7][CH:5]=[CH:6][C:16]([CH3:2])=[CH:12]3)[CH:8]=[CH:10]1)[C@@H:20]([CH2:13][OH:26])[N:25]2[S:30]([CH3:3])(=[O:28])=[O:29])=[O:27]

Parent-child relations graph

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