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

Properties Image MNX_ID MNXM171354 reference chebi:126489 formula C27H35FN4O3 global charge 0 mol weight 482.6 InChIKey VFKJMYCCVOFSSP-UMEGOILYSA-N InChI InChI=1S/C27H35FN4O3/c1-19-15-32(20(2)18-33)27(34)23-13-21(9-8-12-30(3)4)14-29-26(23)35-25(19)17-31(5)16-22-10-6-7-11-24(22)28/h6-7,10-11,13-14,19-20,25,33H,12,15-18H2,1-5H3/t19-,20-,25-/m1/s1 SMILES C[C@@H]1CN([C@H](C)CO)C(=O)C2=C(N=CC(C#CCN(C)C)=C2)O[C@@H]1CN(C)CC1=CC=CC=C1F MNX internals InChI (mnx) InChI=1/C27H35FN4O3/c1-19-15-32(20(2)18-33)27(34)23-13-21(9-8-12-30(3)4)14-29-26(23)35-25(19)17-31(5)16-22-10-6-7-11-24(22)28/h6-7,10-11,13-14,19-20,25,33H,12,15-18H2,1-5H3/t19-,20-,25-/m1/s1 SMILES (mnx) [CH3:1][C@@H:19]1[CH2:15][N:32]([C@H:20]([CH3:2])[CH2:18][OH:33])[C:27](=[O:34])[C:23]2=[C:26]([N:29]=[CH:14][C:21]([C:9]#[C:8][CH2:12][N:30]([CH3:3])[CH3:4])=[CH:13]2)[O:35][C@@H:25]1[CH2:17][N:31]([CH3:5])[CH2:16][C:22]1=[CH:10][CH:6]=[CH:7][CH:11]=[C:24]1[F:28]

Parent-child relations graph

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