(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-(4-fluorophenyl)-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 MNXM170742 reference chebi:95835 formula C29H32FN3O5 global charge 0 mol weight 521.589 InChIKey PFISLOLGZUKACY-CUMRGQLISA-N InChI InChI=1S/C29H32FN3O5/c1-18-13-33(19(2)16-34)29(35)24-11-22(21-5-7-23(30)8-6-21)12-31-28(24)38-27(18)15-32(3)14-20-4-9-25-26(10-20)37-17-36-25/h4-12,18-19,27,34H,13-17H2,1-3H3/t18-,19+,27-/m0/s1 SMILES C[C@H](CO)N1C[C@H](C)[C@H](CN(C)CC2=CC3=C(C=C2)OCO3)OC2=C(C=C(C3=CC=C(F)C=C3)C=N2)C1=O MNX internals InChI (mnx) InChI=1/C29H32FN3O5/c1-18-13-33(19(2)16-34)29(35)24-11-22(21-5-7-23(30)8-6-21)12-31-28(24)38-27(18)15-32(3)14-20-4-9-25-26(10-20)37-17-36-25/h4-12,18-19,27,34H,13-17H2,1-3H3/t18-,19+,27-/m0/s1 SMILES (mnx) [CH3:1][C@H:18]1[CH2:13][N:33]([C@H:19]([CH3:2])[CH2:16][OH:34])[C:29](=[O:35])[C:24]2=[C:28]([N:31]=[CH:12][C:22]([C:21]3=[CH:6][CH:8]=[C:23]([F:30])[CH:7]=[CH:5]3)=[CH:11]2)[O:38][C@H:27]1[CH2:15][N:32]([CH3:3])[CH2:14][C:20]1=[CH:10][C:26]2=[C:25]([CH:9]=[CH:4]1)[O:36][CH2:17][O:37]2

Parent-child relations graph

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