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

Properties Image MNX_ID MNXM341466 reference chebi:110060 formula C23H32N6O4 global charge 0 mol weight 456.547 InChIKey LAMQXQQGALMYJX-RZQQEMMASA-N InChI InChI=1S/C23H32N6O4/c1-14(2)27-23(32)28(5)11-20-15(3)10-29(16(4)12-30)22(31)19-6-17(9-26-21(19)33-20)18-7-24-13-25-8-18/h6-9,13-16,20,30H,10-12H2,1-5H3,(H,27,32)/t15-,16+,20+/m0/s1 SMILES CC(C)NC(=O)N(C)C[C@H]1OC2=C(C=C(C3=CN=CN=C3)C=N2)C(=O)N([C@H](C)CO)C[C@@H]1C MNX internals InChI (mnx) InChI=1/C23H32N6O4/c1-14(2)27-23(32)28(5)11-20-15(3)10-29(16(4)12-30)22(31)19-6-17(9-26-21(19)33-20)18-7-24-13-25-8-18/h6-9,13-16,20,30H,10-12H2,1-5H3,(H,27,32)/t15-,16+,20+/m0/s1 SMILES (mnx) [CH3:1][CH:14]([CH3:2])[N:27]=[C:23]([N:28]([CH3:5])[CH2:11][C@@H:20]1[C@@H:15]([CH3:3])[CH2:10][N:29]([C@H:16]([CH3:4])[CH2:12][OH:30])[C:22](=[O:31])[C:19]2=[C:21]([N:26]=[CH:9][C:17]([C:18]3=[CH:7][N:24]=[CH:13][N:25]=[CH:8]3)=[CH:6]2)[O:33]1)[OH:32]

Parent-child relations graph

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