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

Properties Image MNX_ID MNXM171301 reference chebi:126519 formula C28H34N4O3 global charge 0 mol weight 474.605 InChIKey JCOLJGTTWDEFNT-YZIHRLCOSA-N InChI InChI=1S/C28H34N4O3/c1-19-7-5-6-8-24(19)23-13-25-27(30-14-23)35-26(17-31(4)16-22-9-11-29-12-10-22)20(2)15-32(28(25)34)21(3)18-33/h5-14,20-21,26,33H,15-18H2,1-4H3/t20-,21+,26-/m1/s1 SMILES CC1=CC=CC=C1C1=CC2=C(N=C1)O[C@H](CN(C)CC1=CC=NC=C1)[C@H](C)CN([C@@H](C)CO)C2=O MNX internals InChI (mnx) InChI=1/C28H34N4O3/c1-19-7-5-6-8-24(19)23-13-25-27(30-14-23)35-26(17-31(4)16-22-9-11-29-12-10-22)20(2)15-32(28(25)34)21(3)18-33/h5-14,20-21,26,33H,15-18H2,1-4H3/t20-,21+,26-/m1/s1 SMILES (mnx) [CH3:1][C:19]1=[CH:7][CH:5]=[CH:6][CH:8]=[C:24]1[C:23]1=[CH:13][C:25]2=[C:27]([N:30]=[CH:14]1)[O:35][C@H:26]([CH2:17][N:31]([CH3:4])[CH2:16][C:22]1=[CH:10][CH:12]=[N:29][CH:11]=[CH:9]1)[C@H:20]([CH3:2])[CH2:15][N:32]([C@@H:21]([CH3:3])[CH2:18][OH:33])[C:28]2=[O:34]

Parent-child relations graph

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