(2S,3S)-2-[[cyclopentylmethyl(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 MNXM171518 reference chebi:129828 formula C28H36N4O3 global charge 0 mol weight 476.621 InChIKey NRCNVCSURWCEHF-ISJBWFOZSA-N InChI InChI=1S/C28H36N4O3/c1-20-16-32(21(2)19-33)28(34)25-14-24(9-8-22-10-12-29-13-11-22)15-30-27(25)35-26(20)18-31(3)17-23-6-4-5-7-23/h10-15,20-21,23,26,33H,4-7,16-19H2,1-3H3/t20-,21-,26+/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)CC1CCCC1 MNX internals InChI (mnx) InChI=1/C28H36N4O3/c1-20-16-32(21(2)19-33)28(34)25-14-24(9-8-22-10-12-29-13-11-22)15-30-27(25)35-26(20)18-31(3)17-23-6-4-5-7-23/h10-15,20-21,23,26,33H,4-7,16-19H2,1-3H3/t20-,21-,26+/m0/s1 SMILES (mnx) [CH3:1][C@H:20]1[CH2:16][N:32]([C@@H:21]([CH3:2])[CH2:19][OH:33])[C:28](=[O:34])[C:25]2=[C:27]([N:30]=[CH:15][C:24]([C:9]#[C:8][C:22]3=[CH:11][CH:13]=[N:29][CH:12]=[CH:10]3)=[CH:14]2)[O:35][C@@H:26]1[CH2:18][N:31]([CH3:3])[CH2:17][CH:23]1[CH2:6][CH2:4][CH2:5][CH2:7]1

Parent-child relations graph

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