1-[(2R,3S)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-[4-(trifluoromethyl)phenyl]urea

Properties Image MNX_ID MNXM339264 reference chebi:95293 formula C30H33F3N4O6S global charge 0 mol weight 634.677 InChIKey PEHWLDDZWQGNOT-OSOCVKALSA-N InChI InChI=1S/C30H33F3N4O6S/c1-19-16-37(20(2)18-38)28(39)25-15-23(35-29(40)34-22-11-9-21(10-12-22)30(31,32)33)13-14-26(25)43-27(19)17-36(3)44(41,42)24-7-5-4-6-8-24/h4-15,19-20,27,38H,16-18H2,1-3H3,(H2,34,35,40)/t19-,20-,27-/m0/s1 SMILES C[C@H]1CN([C@@H](C)CO)C(=O)C2=C(C=CC(NC(=O)NC3=CC=C(C(F)(F)F)C=C3)=C2)O[C@H]1CN(C)S(=O)(=O)C1=CC=CC=C1 MNX internals InChI (mnx) InChI=1/C30H33F3N4O6S/c1-19-16-37(20(2)18-38)28(39)25-15-23(35-29(40)34-22-11-9-21(10-12-22)30(31,32)33)13-14-26(25)43-27(19)17-36(3)44(41,42)24-7-5-4-6-8-24/h4-15,19-20,27,38H,16-18H2,1-3H3,(H2,34,35,40)/t19-,20-,27-/m0/s1 SMILES (mnx) [CH3:1][C@H:19]1[CH2:16][N:37]([C@@H:20]([CH3:2])[CH2:18][OH:38])[C:28](=[O:39])[C:25]2=[C:26]([CH:14]=[CH:13][C:23]([N:35]=[C:29]([NH:34][C:22]3=[CH:12][CH:10]=[C:21]([C:30]([F:31])([F:32])[F:33])[CH:9]=[CH:11]3)[OH:40])=[CH:15]2)[O:43][C@H:27]1[CH2:17][N:36]([CH3:3])[S:44]([C:24]1=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]1)(=[O:41])=[O:42]

Parent-child relations graph

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