1-cyclohexyl-3-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea

Properties Image MNX_ID MNXM344566 reference chebi:128587 formula C31H41F3N4O4 global charge 0 mol weight 590.687 InChIKey NHGHJDDGJPIKGB-GNMOFYLKSA-N InChI InChI=1S/C31H41F3N4O4/c1-20-16-38(21(2)19-39)29(40)25-10-7-11-26(36-30(41)35-24-8-5-4-6-9-24)28(25)42-27(20)18-37(3)17-22-12-14-23(15-13-22)31(32,33)34/h7,10-15,20-21,24,27,39H,4-6,8-9,16-19H2,1-3H3,(H2,35,36,41)/t20-,21-,27+/m1/s1 SMILES C[C@@H]1CN([C@H](C)CO)C(=O)C2=C(O[C@H]1CN(C)CC1=CC=C(C(F)(F)F)C=C1)C(NC(=O)NC1CCCCC1)=CC=C2 MNX internals InChI (mnx) InChI=1/C31H41F3N4O4/c1-20-16-38(21(2)19-39)29(40)25-10-7-11-26(36-30(41)35-24-8-5-4-6-9-24)28(25)42-27(20)18-37(3)17-22-12-14-23(15-13-22)31(32,33)34/h7,10-15,20-21,24,27,39H,4-6,8-9,16-19H2,1-3H3,(H2,35,36,41)/t20-,21-,27+/m1/s1 SMILES (mnx) [CH3:1][C@@H:20]1[CH2:16][N:38]([C@H:21]([CH3:2])[CH2:19][OH:39])[C:29](=[O:40])[C:25]2=[C:28]([C:26]([NH:36][C:30](=[N:35][CH:24]3[CH2:8][CH2:5][CH2:4][CH2:6][CH2:9]3)[OH:41])=[CH:11][CH:7]=[CH:10]2)[O:42][C@H:27]1[CH2:18][N:37]([CH3:3])[CH2:17][C:22]1=[CH:13][CH:15]=[C:23]([C:31]([F:32])([F:33])[F:34])[CH:14]=[CH:12]1

Parent-child relations graph

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