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

Properties Image MNX_ID MNXM339762 reference chebi:126282 formula C31H35F3N4O4 global charge 0 mol weight 584.639 InChIKey RUOZLMFIBHXSJW-YHGPEZAFSA-N InChI InChI=1S/C31H35F3N4O4/c1-20-16-38(21(2)19-39)29(40)26-15-25(36-30(41)35-24-7-5-4-6-8-24)13-14-27(26)42-28(20)18-37(3)17-22-9-11-23(12-10-22)31(32,33)34/h4-15,20-21,28,39H,16-19H2,1-3H3,(H2,35,36,41)/t20-,21-,28+/m0/s1 SMILES C[C@H]1CN([C@@H](C)CO)C(=O)C2=C(C=CC(NC(=O)NC3=CC=CC=C3)=C2)O[C@@H]1CN(C)CC1=CC=C(C(F)(F)F)C=C1 MNX internals InChI (mnx) InChI=1/C31H35F3N4O4/c1-20-16-38(21(2)19-39)29(40)26-15-25(36-30(41)35-24-7-5-4-6-8-24)13-14-27(26)42-28(20)18-37(3)17-22-9-11-23(12-10-22)31(32,33)34/h4-15,20-21,28,39H,16-19H2,1-3H3,(H2,35,36,41)/t20-,21-,28+/m0/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:26]2=[C:27]([CH:14]=[CH:13][C:25]([NH:36][C:30](=[N:35][C:24]3=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]3)[OH:41])=[CH:15]2)[O:42][C@@H:28]1[CH2:18][N:37]([CH3:3])[CH2:17][C:22]1=[CH:10][CH:12]=[C:23]([C:31]([F:32])([F:33])[F:34])[CH:11]=[CH:9]1

Parent-child relations graph

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