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

Properties Image MNX_ID MNXM339526 reference chebi:129490 formula C32H37F3N4O4 global charge 0 mol weight 598.666 InChIKey RRTIWHGSFRWPSK-IEOSBIPESA-N InChI InChI=1S/C32H37F3N4O4/c1-21-17-39(22(2)20-40)30(41)16-24-15-27(37-31(42)36-26-7-5-4-6-8-26)13-14-28(24)43-29(21)19-38(3)18-23-9-11-25(12-10-23)32(33,34)35/h4-15,21-22,29,40H,16-20H2,1-3H3,(H2,36,37,42)/t21-,22-,29-/m1/s1 SMILES C[C@@H]1CN([C@H](C)CO)C(=O)CC2=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/C32H37F3N4O4/c1-21-17-39(22(2)20-40)30(41)16-24-15-27(37-31(42)36-26-7-5-4-6-8-26)13-14-28(24)43-29(21)19-38(3)18-23-9-11-25(12-10-23)32(33,34)35/h4-15,21-22,29,40H,16-20H2,1-3H3,(H2,36,37,42)/t21-,22-,29-/m1/s1 SMILES (mnx) [CH3:1][C@@H:21]1[CH2:17][N:39]([C@H:22]([CH3:2])[CH2:20][OH:40])[C:30](=[O:41])[CH2:16][C:24]2=[C:28]([CH:14]=[CH:13][C:27]([NH:37][C:31](=[N:36][C:26]3=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]3)[OH:42])=[CH:15]2)[O:43][C@@H:29]1[CH2:19][N:38]([CH3:3])[CH2:18][C:23]1=[CH:10][CH:12]=[C:25]([C:32]([F:33])([F:34])[F:35])[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