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

Properties Image MNX_ID MNXM341481 reference chebi:119559 formula C28H36N4O4 global charge 0 mol weight 492.62 InChIKey FGDWBZCHFJENJN-STWLZBDKSA-N InChI InChI=1S/C28H36N4O4/c1-5-14-29-28(35)31(4)18-25-20(2)17-32(21(3)19-33)27(34)24-15-23(16-30-26(24)36-25)13-9-12-22-10-7-6-8-11-22/h6-8,10-11,15-16,20-21,25,33H,5,12,14,17-19H2,1-4H3,(H,29,35)/t20-,21-,25+/m0/s1 SMILES CCCNC(=O)N(C)C[C@H]1OC2=C(C=C(C#CCC3=CC=CC=C3)C=N2)C(=O)N([C@@H](C)CO)C[C@@H]1C MNX internals InChI (mnx) InChI=1/C28H36N4O4/c1-5-14-29-28(35)31(4)18-25-20(2)17-32(21(3)19-33)27(34)24-15-23(16-30-26(24)36-25)13-9-12-22-10-7-6-8-11-22/h6-8,10-11,15-16,20-21,25,33H,5,12,14,17-19H2,1-4H3,(H,29,35)/t20-,21-,25+/m0/s1 SMILES (mnx) [CH3:1][CH2:5][CH2:14][N:29]=[C:28]([N:31]([CH3:4])[CH2:18][C@@H:25]1[C@@H:20]([CH3:2])[CH2:17][N:32]([C@@H:21]([CH3:3])[CH2:19][OH:33])[C:27](=[O:34])[C:24]2=[C:26]([N:30]=[CH:16][C:23]([C:13]#[C:9][CH2:12][C:22]3=[CH:10][CH:7]=[CH:6][CH:8]=[CH:11]3)=[CH:15]2)[O:36]1)[OH:35]

Parent-child relations graph

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