1-(1,3-benzodioxol-5-yl)-3-[(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea

Properties Image MNX_ID MNXM179428 reference chebi:124827 formula C32H44N4O6 global charge 0 mol weight 580.726 InChIKey RFZFPTSDEPYSRK-MWXNICTNSA-N InChI InChI=1S/C32H44N4O6/c1-21-16-36(22(2)19-37)31(38)14-24-13-25(33-32(39)34-26-10-12-28-29(15-26)41-20-40-28)9-11-27(24)42-30(21)18-35(3)17-23-7-5-4-6-8-23/h9-13,15,21-23,30,37H,4-8,14,16-20H2,1-3H3,(H2,33,34,39)/t21-,22-,30+/m0/s1 SMILES C[C@H]1CN([C@@H](C)CO)C(=O)CC2=C(C=CC(NC(=O)NC3=CC4=C(C=C3)OCO4)=C2)O[C@@H]1CN(C)CC1CCCCC1 MNX internals InChI (mnx) InChI=1/C32H44N4O6/c1-21-16-36(22(2)19-37)31(38)14-24-13-25(33-32(39)34-26-10-12-28-29(15-26)41-20-40-28)9-11-27(24)42-30(21)18-35(3)17-23-7-5-4-6-8-23/h9-13,15,21-23,30,37H,4-8,14,16-20H2,1-3H3,(H2,33,34,39)/t21-,22-,30+/m0/s1 SMILES (mnx) [CH3:1][C@H:21]1[CH2:16][N:36]([C@@H:22]([CH3:2])[CH2:19][OH:37])[C:31](=[O:38])[CH2:14][C:24]2=[C:27]([CH:11]=[CH:9][C:25]([NH:33][C:32](=[N:34][C:26]3=[CH:15][C:29]4=[C:28]([CH:12]=[CH:10]3)[O:40][CH2:20][O:41]4)[OH:39])=[CH:13]2)[O:42][C@@H:30]1[CH2:18][N:35]([CH3:3])[CH2:17][CH:23]1[CH2:7][CH2:5][CH2:4][CH2:6][CH2:8]1

Parent-child relations graph

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