(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-8-[2-[4-(trifluoromethyl)phenyl]ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

Properties Image MNX_ID MNXM170760 reference chebi:106273 formula C30H31F3N4O3 global charge 0 mol weight 552.597 InChIKey GZQNINDEOIICFU-ISCCLHIJSA-N InChI InChI=1S/C30H31F3N4O3/c1-20-16-37(21(2)19-38)29(39)26-14-24(5-4-22-6-8-25(9-7-22)30(31,32)33)15-35-28(26)40-27(20)18-36(3)17-23-10-12-34-13-11-23/h6-15,20-21,27,38H,16-19H2,1-3H3/t20-,21+,27-/m0/s1 SMILES C[C@H](CO)N1C[C@H](C)[C@H](CN(C)CC2=CC=NC=C2)OC2=C(C=C(C#CC3=CC=C(C(F)(F)F)C=C3)C=N2)C1=O MNX internals InChI (mnx) InChI=1/C30H31F3N4O3/c1-20-16-37(21(2)19-38)29(39)26-14-24(5-4-22-6-8-25(9-7-22)30(31,32)33)15-35-28(26)40-27(20)18-36(3)17-23-10-12-34-13-11-23/h6-15,20-21,27,38H,16-19H2,1-3H3/t20-,21+,27-/m0/s1 SMILES (mnx) [CH3:1][C@H:20]1[CH2:16][N:37]([C@H:21]([CH3:2])[CH2:19][OH:38])[C:29](=[O:39])[C:26]2=[C:28]([N:35]=[CH:15][C:24]([C:5]#[C:4][C:22]3=[CH:7][CH:9]=[C:25]([C:30]([F:31])([F:32])[F:33])[CH:8]=[CH:6]3)=[CH:14]2)[O:40][C@H:27]1[CH2:18][N:36]([CH3:3])[CH2:17][C:23]1=[CH:11][CH:13]=[N:34][CH:12]=[CH:10]1

Parent-child relations graph

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