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

Properties Image MNX_ID MNXM341528 reference chebi:114017 formula C22H26BrFN4O4 global charge 0 mol weight 509.376 InChIKey FEPFVQGWSVEBSO-IQUTYRLHSA-N InChI InChI=1S/C22H26BrFN4O4/c1-13-10-28(14(2)12-29)21(30)16-8-15(23)9-25-20(16)32-19(13)11-27(3)22(31)26-18-7-5-4-6-17(18)24/h4-9,13-14,19,29H,10-12H2,1-3H3,(H,26,31)/t13-,14+,19+/m0/s1 SMILES C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)NC2=CC=CC=C2F)OC2=NC=C(Br)C=C2C1=O MNX internals InChI (mnx) InChI=1/C22H26BrFN4O4/c1-13-10-28(14(2)12-29)21(30)16-8-15(23)9-25-20(16)32-19(13)11-27(3)22(31)26-18-7-5-4-6-17(18)24/h4-9,13-14,19,29H,10-12H2,1-3H3,(H,26,31)/t13-,14+,19+/m0/s1 SMILES (mnx) [CH3:1][C@H:13]1[CH2:10][N:28]([C@H:14]([CH3:2])[CH2:12][OH:29])[C:21](=[O:30])[C:16]2=[C:20]([N:25]=[CH:9][C:15]([Br:23])=[CH:8]2)[O:32][C@@H:19]1[CH2:11][N:27]([CH3:3])[C:22](=[N:26][C:18]1=[CH:7][CH:5]=[CH:4][CH:6]=[C:17]1[F:24])[OH:31]

Parent-child relations graph

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