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

Properties Image MNX_ID MNXM171512 reference chebi:130594 formula C29H38N4O3 global charge 0 mol weight 490.648 InChIKey BTVCLUFNXWPDPX-BCQCSXDESA-N InChI InChI=1S/C29H38N4O3/c1-21-17-33(22(2)20-34)29(35)26-15-25(10-9-23-11-13-30-14-12-23)16-31-28(26)36-27(21)19-32(3)18-24-7-5-4-6-8-24/h11-16,21-22,24,27,34H,4-8,17-20H2,1-3H3/t21-,22-,27+/m0/s1 SMILES C[C@H]1CN([C@@H](C)CO)C(=O)C2=C(N=CC(C#CC3=CC=NC=C3)=C2)O[C@@H]1CN(C)CC1CCCCC1 MNX internals InChI (mnx) InChI=1/C29H38N4O3/c1-21-17-33(22(2)20-34)29(35)26-15-25(10-9-23-11-13-30-14-12-23)16-31-28(26)36-27(21)19-32(3)18-24-7-5-4-6-8-24/h11-16,21-22,24,27,34H,4-8,17-20H2,1-3H3/t21-,22-,27+/m0/s1 SMILES (mnx) [CH3:1][C@H:21]1[CH2:17][N:33]([C@@H:22]([CH3:2])[CH2:20][OH:34])[C:29](=[O:35])[C:26]2=[C:28]([N:31]=[CH:16][C:25]([C:10]#[C:9][C:23]3=[CH:12][CH:14]=[N:30][CH:13]=[CH:11]3)=[CH:15]2)[O:36][C@@H:27]1[CH2:19][N:32]([CH3:3])[CH2:18][CH:24]1[CH2:7][CH2:5][CH2:4][CH2:6][CH2:8]1

Parent-child relations graph

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