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

Properties Image MNX_ID MNXM171321 reference chebi:114161 formula C29H38N4O3 global charge 0 mol weight 490.648 InChIKey NDPUBMYQFYUKKS-UMTXDNHDSA-N InChI InChI=1S/C29H38N4O3/c1-21-17-33(22(2)20-34)29(35)26-14-24(12-11-23-8-5-4-6-9-23)16-31-28(26)36-27(21)19-32(3)18-25-10-7-13-30-15-25/h7,10,13-16,21-23,27,34H,4-6,8-9,17-20H2,1-3H3/t21-,22+,27-/m1/s1 SMILES C[C@@H]1CN([C@@H](C)CO)C(=O)C2=C(N=CC(C#CC3CCCCC3)=C2)O[C@@H]1CN(C)CC1=CN=CC=C1 MNX internals InChI (mnx) InChI=1/C29H38N4O3/c1-21-17-33(22(2)20-34)29(35)26-14-24(12-11-23-8-5-4-6-9-23)16-31-28(26)36-27(21)19-32(3)18-25-10-7-13-30-15-25/h7,10,13-16,21-23,27,34H,4-6,8-9,17-20H2,1-3H3/t21-,22+,27-/m1/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:24]([C:12]#[C:11][CH:23]3[CH2:8][CH2:5][CH2:4][CH2:6][CH2:9]3)=[CH:14]2)[O:36][C@@H:27]1[CH2:19][N:32]([CH3:3])[CH2:18][C:25]1=[CH:15][N:30]=[CH:13][CH:7]=[CH:10]1

Parent-child relations graph

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