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

Properties Image MNX_ID MNXM170433 reference chebi:96240 formula C25H33N5O3 global charge 0 mol weight 451.571 InChIKey KVTAKNNJYPDOHV-MSYCTHLASA-N InChI InChI=1S/C25H33N5O3/c1-17(2)6-7-20-8-22-24(28-11-20)33-23(14-29(5)13-21-9-26-16-27-10-21)18(3)12-30(25(22)32)19(4)15-31/h8-11,16-19,23,31H,12-15H2,1-5H3/t18-,19+,23+/m1/s1 SMILES CC(C)C#CC1=CC2=C(N=C1)O[C@@H](CN(C)CC1=CN=CN=C1)[C@H](C)CN([C@@H](C)CO)C2=O MNX internals InChI (mnx) InChI=1/C25H33N5O3/c1-17(2)6-7-20-8-22-24(28-11-20)33-23(14-29(5)13-21-9-26-16-27-10-21)18(3)12-30(25(22)32)19(4)15-31/h8-11,16-19,23,31H,12-15H2,1-5H3/t18-,19+,23+/m1/s1 SMILES (mnx) [CH3:1][CH:17]([CH3:2])[C:6]#[C:7][C:20]1=[CH:8][C:22]2=[C:24]([N:28]=[CH:11]1)[O:33][C@@H:23]([CH2:14][N:29]([CH3:5])[CH2:13][C:21]1=[CH:9][N:26]=[CH:16][N:27]=[CH:10]1)[C@H:18]([CH3:3])[CH2:12][N:30]([C@@H:19]([CH3:4])[CH2:15][OH:31])[C:25]2=[O:32]

Parent-child relations graph

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