1-[(2S,3S)-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-8-yl]-3-(4-methoxyphenyl)urea

Properties Image MNX_ID MNXM339735 reference chebi:124864 formula C32H37F3N4O5 global charge 0 mol weight 614.665 InChIKey JRHQODKPGBTKIY-BNJCFXFUSA-N InChI InChI=1S/C32H37F3N4O5/c1-20-16-39(21(2)19-40)30(41)27-15-25(37-31(42)36-24-9-12-26(43-4)13-10-24)11-14-28(27)44-29(20)18-38(3)17-22-5-7-23(8-6-22)32(33,34)35/h5-15,20-21,29,40H,16-19H2,1-4H3,(H2,36,37,42)/t20-,21+,29+/m0/s1 SMILES COC1=CC=C(NC(=O)NC2=CC3=C(C=C2)O[C@H](CN(C)CC2=CC=C(C(F)(F)F)C=C2)[C@@H](C)CN([C@H](C)CO)C3=O)C=C1 MNX internals InChI (mnx) InChI=1/C32H37F3N4O5/c1-20-16-39(21(2)19-40)30(41)27-15-25(37-31(42)36-24-9-12-26(43-4)13-10-24)11-14-28(27)44-29(20)18-38(3)17-22-5-7-23(8-6-22)32(33,34)35/h5-15,20-21,29,40H,16-19H2,1-4H3,(H2,36,37,42)/t20-,21+,29+/m0/s1 SMILES (mnx) [CH3:1][C@H:20]1[CH2:16][N:39]([C@H:21]([CH3:2])[CH2:19][OH:40])[C:30](=[O:41])[C:27]2=[C:28]([CH:14]=[CH:11][C:25]([N:37]=[C:31]([NH:36][C:24]3=[CH:10][CH:13]=[C:26]([O:43][CH3:4])[CH:12]=[CH:9]3)[OH:42])=[CH:15]2)[O:44][C@@H:29]1[CH2:18][N:38]([CH3:3])[CH2:17][C:22]1=[CH:6][CH:8]=[C:23]([C:32]([F:33])([F:34])[F:35])[CH:7]=[CH:5]1

Parent-child relations graph

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