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

Properties Image MNX_ID MNXM339511 reference chebi:124596 formula C24H29F3N4O4 global charge 0 mol weight 494.514 InChIKey KCNSNDYEXGJQPQ-VTJXTGGHSA-N InChI InChI=1S/C24H29F3N4O4/c1-14-12-31(15(2)13-32)22(33)19-10-18(8-9-20(19)35-21(14)11-28-3)30-23(34)29-17-6-4-16(5-7-17)24(25,26)27/h4-10,14-15,21,28,32H,11-13H2,1-3H3,(H2,29,30,34)/t14-,15-,21-/m1/s1 SMILES CNC[C@H]1OC2=C(C=C(NC(=O)NC3=CC=C(C(F)(F)F)C=C3)C=C2)C(=O)N([C@H](C)CO)C[C@H]1C MNX internals InChI (mnx) InChI=1/C24H29F3N4O4/c1-14-12-31(15(2)13-32)22(33)19-10-18(8-9-20(19)35-21(14)11-28-3)30-23(34)29-17-6-4-16(5-7-17)24(25,26)27/h4-10,14-15,21,28,32H,11-13H2,1-3H3,(H2,29,30,34)/t14-,15-,21-/m1/s1 SMILES (mnx) [CH3:1][C@@H:14]1[CH2:12][N:31]([C@H:15]([CH3:2])[CH2:13][OH:32])[C:22](=[O:33])[C:19]2=[C:20]([CH:9]=[CH:8][C:18]([N:30]=[C:23]([NH:29][C:17]3=[CH:7][CH:5]=[C:16]([C:24]([F:25])([F:26])[F:27])[CH:4]=[CH:6]3)[OH:34])=[CH:10]2)[O:35][C@@H:21]1[CH2:11][NH:28][CH3:3]

Parent-child relations graph

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