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

Properties Image MNX_ID MNXM170747 reference chebi:95682 formula C28H36N4O3 global charge 0 mol weight 476.621 InChIKey CLQLHKYRPGBFMB-UZINWLIJSA-N InChI InChI=1S/C28H36N4O3/c1-20-16-32(21(2)19-33)28(34)25-14-23(11-12-24-10-6-7-13-29-24)15-30-27(25)35-26(20)18-31(3)17-22-8-4-5-9-22/h6-7,10,13-15,20-22,26,33H,4-5,8-9,16-19H2,1-3H3/t20-,21+,26-/m0/s1 SMILES C[C@H](CO)N1C[C@H](C)[C@H](CN(C)CC2CCCC2)OC2=C(C=C(C#CC3=CC=CC=N3)C=N2)C1=O MNX internals InChI (mnx) InChI=1/C28H36N4O3/c1-20-16-32(21(2)19-33)28(34)25-14-23(11-12-24-10-6-7-13-29-24)15-30-27(25)35-26(20)18-31(3)17-22-8-4-5-9-22/h6-7,10,13-15,20-22,26,33H,4-5,8-9,16-19H2,1-3H3/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:23]([C:11]#[C:12][C:24]3=[CH:10][CH:6]=[CH:7][CH:13]=[N:29]3)=[CH:14]2)[O:35][C@H:26]1[CH2:18][N:31]([CH3:3])[CH2:17][CH:22]1[CH2:8][CH2:4][CH2:5][CH2:9]1

Parent-child relations graph

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