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

Properties Image MNX_ID MNXM171519 reference chebi:126459 formula C28H39N3O3 global charge 0 mol weight 465.638 InChIKey HUDOXNPGJVTKHC-ISJBWFOZSA-N InChI InChI=1S/C28H39N3O3/c1-19-9-11-23(12-10-19)24-13-25-27(29-14-24)34-26(17-30(4)16-22-7-5-6-8-22)20(2)15-31(28(25)33)21(3)18-32/h9-14,20-22,26,32H,5-8,15-18H2,1-4H3/t20-,21-,26+/m0/s1 SMILES CC1=CC=C(C2=CC3=C(N=C2)O[C@H](CN(C)CC2CCCC2)[C@@H](C)CN([C@@H](C)CO)C3=O)C=C1 MNX internals InChI (mnx) InChI=1/C28H39N3O3/c1-19-9-11-23(12-10-19)24-13-25-27(29-14-24)34-26(17-30(4)16-22-7-5-6-8-22)20(2)15-31(28(25)33)21(3)18-32/h9-14,20-22,26,32H,5-8,15-18H2,1-4H3/t20-,21-,26+/m0/s1 SMILES (mnx) [CH3:1][C:19]1=[CH:10][CH:12]=[C:23]([C:24]2=[CH:13][C:25]3=[C:27]([N:29]=[CH:14]2)[O:34][C@H:26]([CH2:17][N:30]([CH3:4])[CH2:16][CH:22]2[CH2:7][CH2:5][CH2:6][CH2:8]2)[C@@H:20]([CH3:2])[CH2:15][N:31]([C@@H:21]([CH3:3])[CH2:18][OH:32])[C:28]3=[O:33])[CH:11]=[CH:9]1

Parent-child relations graph

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