1-[[(2R,3S)-8-(2-cyclopropylethynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea

Properties Image MNX_ID MNXM341298 reference chebi:96331 formula C24H34N4O4 global charge 0 mol weight 442.56 InChIKey MNKHAAOLWRLKCW-FIKGOQFSSA-N InChI InChI=1S/C24H34N4O4/c1-15(2)26-24(31)27(5)13-21-16(3)12-28(17(4)14-29)23(30)20-10-19(9-8-18-6-7-18)11-25-22(20)32-21/h10-11,15-18,21,29H,6-7,12-14H2,1-5H3,(H,26,31)/t16-,17-,21-/m0/s1 SMILES CC(C)NC(=O)N(C)C[C@@H]1OC2=C(C=C(C#CC3CC3)C=N2)C(=O)N([C@@H](C)CO)C[C@@H]1C MNX internals InChI (mnx) InChI=1/C24H34N4O4/c1-15(2)26-24(31)27(5)13-21-16(3)12-28(17(4)14-29)23(30)20-10-19(9-8-18-6-7-18)11-25-22(20)32-21/h10-11,15-18,21,29H,6-7,12-14H2,1-5H3,(H,26,31)/t16-,17-,21-/m0/s1 SMILES (mnx) [CH3:1][CH:15]([CH3:2])[N:26]=[C:24]([N:27]([CH3:5])[CH2:13][C@H:21]1[C@@H:16]([CH3:3])[CH2:12][N:28]([C@@H:17]([CH3:4])[CH2:14][OH:29])[C:23](=[O:30])[C:20]2=[C:22]([N:25]=[CH:11][C:19]([C:9]#[C:8][CH:18]3[CH2:6][CH2:7]3)=[CH:10]2)[O:32]1)[OH:31]

Parent-child relations graph

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