(2S,3R)-8-[2-(2-fluorophenyl)ethynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

Properties Image MNX_ID MNXM171353 reference chebi:106297 formula C23H26FN3O3 global charge 0 mol weight 411.477 InChIKey NUAJGQJLZRKPPD-VWKPWSFCSA-N InChI InChI=1S/C23H26FN3O3/c1-15-13-27(16(2)14-28)23(29)19-10-17(8-9-18-6-4-5-7-20(18)24)11-26-22(19)30-21(15)12-25-3/h4-7,10-11,15-16,21,25,28H,12-14H2,1-3H3/t15-,16+,21-/m1/s1 SMILES CNC[C@H]1OC2=C(C=C(C#CC3=CC=CC=C3F)C=N2)C(=O)N([C@@H](C)CO)C[C@H]1C MNX internals InChI (mnx) InChI=1/C23H26FN3O3/c1-15-13-27(16(2)14-28)23(29)19-10-17(8-9-18-6-4-5-7-20(18)24)11-26-22(19)30-21(15)12-25-3/h4-7,10-11,15-16,21,25,28H,12-14H2,1-3H3/t15-,16+,21-/m1/s1 SMILES (mnx) [CH3:1][C@@H:15]1[CH2:13][N:27]([C@@H:16]([CH3:2])[CH2:14][OH:28])[C:23](=[O:29])[C:19]2=[C:22]([N:26]=[CH:11][C:17]([C:8]#[C:9][C:18]3=[CH:6][CH:4]=[CH:5][CH:7]=[C:20]3[F:24])=[CH:10]2)[O:30][C@@H:21]1[CH2:12][NH:25][CH3:3]

Parent-child relations graph

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