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

Properties Image MNX_ID MNXM170776 reference chebi:95796 formula C28H39N3O5 global charge 0 mol weight 497.636 InChIKey BVGZNQUUZDWJPB-DYLHXGEVSA-N InChI InChI=1S/C28H39N3O5/c1-19-15-31(20(2)18-32)28(33)24-13-22(23-7-5-6-8-25(23)34-4)14-29-27(24)36-26(19)17-30(3)16-21-9-11-35-12-10-21/h5-8,13-14,19-21,26,32H,9-12,15-18H2,1-4H3/t19-,20-,26-/m0/s1 SMILES COC1=CC=CC=C1C1=CC2=C(N=C1)O[C@@H](CN(C)CC1CCOCC1)[C@@H](C)CN([C@@H](C)CO)C2=O MNX internals InChI (mnx) InChI=1/C28H39N3O5/c1-19-15-31(20(2)18-32)28(33)24-13-22(23-7-5-6-8-25(23)34-4)14-29-27(24)36-26(19)17-30(3)16-21-9-11-35-12-10-21/h5-8,13-14,19-21,26,32H,9-12,15-18H2,1-4H3/t19-,20-,26-/m0/s1 SMILES (mnx) [CH3:1][C@H:19]1[CH2:15][N:31]([C@@H:20]([CH3:2])[CH2:18][OH:32])[C:28](=[O:33])[C:24]2=[C:27]([N:29]=[CH:14][C:22]([C:23]3=[CH:7][CH:5]=[CH:6][CH:8]=[C:25]3[O:34][CH3:4])=[CH:13]2)[O:36][C@H:26]1[CH2:17][N:30]([CH3:3])[CH2:16][CH:21]1[CH2:9][CH2:11][O:35][CH2:12][CH2:10]1

Parent-child relations graph

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