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

Properties Image MNX_ID MNXM341142 reference chebi:113725 formula C31H40F3N5O5 global charge 0 mol weight 619.685 InChIKey DYMIOMKCTZAAFH-KYTVRQNUSA-N InChI InChI=1S/C31H40F3N5O5/c1-19-16-39(20(2)18-40)28(41)24-10-7-11-25(37-29(42)35-22-8-5-4-6-9-22)27(24)44-26(19)17-38(3)30(43)36-23-14-12-21(13-15-23)31(32,33)34/h7,10-15,19-20,22,26,40H,4-6,8-9,16-18H2,1-3H3,(H,36,43)(H2,35,37,42)/t19-,20-,26+/m1/s1 SMILES C[C@@H]1CN([C@H](C)CO)C(=O)C2=C(O[C@H]1CN(C)C(=O)NC1=CC=C(C(F)(F)F)C=C1)C(NC(=O)NC1CCCCC1)=CC=C2 MNX internals InChI (mnx) InChI=1/C31H40F3N5O5/c1-19-16-39(20(2)18-40)28(41)24-10-7-11-25(37-29(42)35-22-8-5-4-6-9-22)27(24)44-26(19)17-38(3)30(43)36-23-14-12-21(13-15-23)31(32,33)34/h7,10-15,19-20,22,26,40H,4-6,8-9,16-18H2,1-3H3,(H,36,43)(H2,35,37,42)/t19-,20-,26+/m1/s1 SMILES (mnx) [CH3:1][C@@H:19]1[CH2:16][N:39]([C@H:20]([CH3:2])[CH2:18][OH:40])[C:28](=[O:41])[C:24]2=[C:27]([C:25]([NH:37][C:29](=[N:35][CH:22]3[CH2:8][CH2:5][CH2:4][CH2:6][CH2:9]3)[OH:42])=[CH:11][CH:7]=[CH:10]2)[O:44][C@H:26]1[CH2:17][N:38]([CH3:3])[C:30]([NH:36][C:23]1=[CH:15][CH:13]=[C:21]([C:31]([F:32])([F:33])[F:34])[CH:12]=[CH:14]1)=[O:43]

Parent-child relations graph

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