1-[[(2S,3R)-8-[(3S)-3-hydroxybut-1-ynyl]-5-[(2R)-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 MNXM341414 reference chebi:110158 formula C27H31F3N4O5 global charge 0 mol weight 548.562 InChIKey JSXDBGGCWARADO-PRHHBONVSA-N InChI InChI=1S/C27H31F3N4O5/c1-16-13-34(17(2)15-35)25(37)22-11-19(6-5-18(3)36)12-31-24(22)39-23(16)14-33(4)26(38)32-21-9-7-20(8-10-21)27(28,29)30/h7-12,16-18,23,35-36H,13-15H2,1-4H3,(H,32,38)/t16-,17-,18+,23-/m1/s1 SMILES C[C@H](O)C#CC1=CC2=C(N=C1)O[C@H](CN(C)C(=O)NC1=CC=C(C(F)(F)F)C=C1)[C@H](C)CN([C@H](C)CO)C2=O MNX internals InChI (mnx) InChI=1/C27H31F3N4O5/c1-16-13-34(17(2)15-35)25(37)22-11-19(6-5-18(3)36)12-31-24(22)39-23(16)14-33(4)26(38)32-21-9-7-20(8-10-21)27(28,29)30/h7-12,16-18,23,35-36H,13-15H2,1-4H3,(H,32,38)/t16-,17-,18+,23-/m1/s1 SMILES (mnx) [CH3:1][C@@H:16]1[CH2:13][N:34]([C@H:17]([CH3:2])[CH2:15][OH:35])[C:25](=[O:37])[C:22]2=[C:24]([N:31]=[CH:12][C:19]([C:6]#[C:5][C@H:18]([CH3:3])[OH:36])=[CH:11]2)[O:39][C@@H:23]1[CH2:14][N:33]([CH3:4])[C:26]([NH:32][C:21]1=[CH:10][CH:8]=[C:20]([C:27]([F:28])([F:29])[F:30])[CH:7]=[CH:9]1)=[O:38]

Parent-child relations graph

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