1-[[(2S,3S)-8-(4-cyanophenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

Properties Image MNX_ID MNXM341507 reference chebi:95748 formula C30H30F3N5O4 global charge 0 mol weight 581.595 InChIKey KJZOGGIMPWHLRO-LZJCXSABSA-N InChI InChI=1S/C30H30F3N5O4/c1-18-15-38(19(2)17-39)28(40)25-12-22(21-6-4-20(13-34)5-7-21)14-35-27(25)42-26(18)16-37(3)29(41)36-24-10-8-23(9-11-24)30(31,32)33/h4-12,14,18-19,26,39H,15-17H2,1-3H3,(H,36,41)/t18-,19-,26+/m0/s1 SMILES C[C@H]1CN([C@@H](C)CO)C(=O)C2=C(N=CC(C3=CC=C(C#N)C=C3)=C2)O[C@@H]1CN(C)C(=O)NC1=CC=C(C(F)(F)F)C=C1 MNX internals InChI (mnx) InChI=1/C30H30F3N5O4/c1-18-15-38(19(2)17-39)28(40)25-12-22(21-6-4-20(13-34)5-7-21)14-35-27(25)42-26(18)16-37(3)29(41)36-24-10-8-23(9-11-24)30(31,32)33/h4-12,14,18-19,26,39H,15-17H2,1-3H3,(H,36,41)/t18-,19-,26+/m0/s1 SMILES (mnx) [CH3:1][C@H:18]1[CH2:15][N:38]([C@@H:19]([CH3:2])[CH2:17][OH:39])[C:28](=[O:40])[C:25]2=[C:27]([N:35]=[CH:14][C:22]([C:21]3=[CH:7][CH:5]=[C:20]([C:13]#[N:34])[CH:4]=[CH:6]3)=[CH:12]2)[O:42][C@@H:26]1[CH2:16][N:37]([CH3:3])[C:29]([NH:36][C:24]1=[CH:11][CH:9]=[C:23]([C:30]([F:31])([F:32])[F:33])[CH:8]=[CH:10]1)=[O:41]

Parent-child relations graph

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