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

Properties Image MNX_ID MNXM341180 reference chebi:96710 formula C28H36N4O5 global charge 0 mol weight 508.619 InChIKey KPXBVFREPGCPQF-RNHFSVANSA-N InChI InChI=1S/C28H36N4O5/c1-18(2)11-12-21-13-22-26(29-14-21)37-25(19(3)15-32(27(22)34)20(4)17-33)16-31(5)28(35)30-23-9-7-8-10-24(23)36-6/h7-10,13-14,18-20,25,33H,15-17H2,1-6H3,(H,30,35)/t19-,20+,25+/m1/s1 SMILES COC1=CC=CC=C1NC(=O)N(C)C[C@@H]1OC2=C(C=C(C#CC(C)C)C=N2)C(=O)N([C@@H](C)CO)C[C@H]1C MNX internals InChI (mnx) InChI=1/C28H36N4O5/c1-18(2)11-12-21-13-22-26(29-14-21)37-25(19(3)15-32(27(22)34)20(4)17-33)16-31(5)28(35)30-23-9-7-8-10-24(23)36-6/h7-10,13-14,18-20,25,33H,15-17H2,1-6H3,(H,30,35)/t19-,20+,25+/m1/s1 SMILES (mnx) [CH3:1][CH:18]([CH3:2])[C:11]#[C:12][C:21]1=[CH:13][C:22]2=[C:26]([N:29]=[CH:14]1)[O:37][C@@H:25]([CH2:16][N:31]([CH3:5])[C:28](=[N:30][C:23]1=[CH:9][CH:7]=[CH:8][CH:10]=[C:24]1[O:36][CH3:6])[OH:35])[C@H:19]([CH3:3])[CH2:15][N:32]([C@@H:20]([CH3:4])[CH2:17][OH:33])[C:27]2=[O:34]

Parent-child relations graph

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