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

Properties Image MNX_ID MNXM339409 reference chebi:130802 formula C24H28N2O4 global charge 0 mol weight 408.498 InChIKey KZRZKNFRJHUJFY-NFBKMPQASA-N InChI InChI=1S/C24H28N2O4/c1-4-22(29)25-14-24(15-25)23(20(13-27)26(24)16(2)28)18-11-9-17(10-12-18)19-7-5-6-8-21(19)30-3/h5-12,20,23,27H,4,13-15H2,1-3H3/t20-,23-/m1/s1 SMILES CCC(=O)N1CC2(C1)[C@H](C1=CC=C(C3=CC=CC=C3OC)C=C1)[C@@H](CO)N2C(C)=O MNX internals InChI (mnx) InChI=1/C24H28N2O4/c1-4-22(29)25-14-24(15-25)23(20(13-27)26(24)16(2)28)18-11-9-17(10-12-18)19-7-5-6-8-21(19)30-3/h5-12,20,23,27H,4,13-15H2,1-3H3/t20-,23-/m1/s1 SMILES (mnx) [CH3:1][CH2:4][C:22]([N:25]1[CH2:14][C:24]2([CH2:15]1)[C@H:23]([C:18]1=[CH:12][CH:10]=[C:17]([C:19]3=[CH:7][CH:5]=[CH:6][CH:8]=[C:21]3[O:30][CH3:3])[CH:9]=[CH:11]1)[C@@H:20]([CH2:13][OH:27])[N:26]2[C:16]([CH3:2])=[O:28])=[O:29]

Parent-child relations graph

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