1-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-9-[[(1-naphthalenylamino)-oxomethyl]amino]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

Properties Image MNX_ID MNXM341385 reference chebi:130163 formula C36H38F3N5O5 global charge 0 mol weight 677.724 InChIKey RLXZBURZGJBDKR-MEYXWREJSA-N InChI InChI=1S/C36H38F3N5O5/c1-22-19-44(23(2)21-45)33(46)18-25-17-28(40-34(47)42-30-10-6-8-24-7-4-5-9-29(24)30)15-16-31(25)49-32(22)20-43(3)35(48)41-27-13-11-26(12-14-27)36(37,38)39/h4-17,22-23,32,45H,18-21H2,1-3H3,(H,41,48)(H2,40,42,47)/t22-,23+,32-/m1/s1 SMILES C[C@@H]1CN([C@@H](C)CO)C(=O)CC2=C(C=CC(NC(=O)NC3=CC=CC4=CC=CC=C43)=C2)O[C@@H]1CN(C)C(=O)NC1=CC=C(C(F)(F)F)C=C1 MNX internals InChI (mnx) InChI=1/C36H38F3N5O5/c1-22-19-44(23(2)21-45)33(46)18-25-17-28(40-34(47)42-30-10-6-8-24-7-4-5-9-29(24)30)15-16-31(25)49-32(22)20-43(3)35(48)41-27-13-11-26(12-14-27)36(37,38)39/h4-17,22-23,32,45H,18-21H2,1-3H3,(H,41,48)(H2,40,42,47)/t22-,23+,32-/m1/s1 SMILES (mnx) [CH3:1][C@@H:22]1[CH2:19][N:44]([C@@H:23]([CH3:2])[CH2:21][OH:45])[C:33](=[O:46])[CH2:18][C:25]2=[C:31]([CH:16]=[CH:15][C:28]([NH:40][C:34](=[N:42][C:30]3=[CH:10][CH:6]=[CH:8][C:24]4=[CH:7][CH:4]=[CH:5][CH:9]=[C:29]43)[OH:47])=[CH:17]2)[O:49][C@@H:32]1[CH2:20][N:43]([CH3:3])[C:35]([NH:41][C:27]1=[CH:14][CH:12]=[C:26]([C:36]([F:37])([F:38])[F:39])[CH:11]=[CH:13]1)=[O:48]

Parent-child relations graph

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