1-[[(2R,3S)-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-3-(4-fluorophenyl)-1-methylurea

Properties Image MNX_ID MNXM341309 reference chebi:111563 formula C25H33FN4O4 global charge 0 mol weight 472.561 InChIKey FXKMHYTYNRWQSP-MFEFFIJZSA-N InChI InChI=1S/C25H33FN4O4/c1-16-13-30(17(2)15-31)24(32)21-12-20(28(3)4)10-11-22(21)34-23(16)14-29(5)25(33)27-19-8-6-18(26)7-9-19/h6-12,16-17,23,31H,13-15H2,1-5H3,(H,27,33)/t16-,17+,23-/m0/s1 SMILES C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)NC2=CC=C(F)C=C2)OC2=C(C=C(N(C)C)C=C2)C1=O MNX internals InChI (mnx) InChI=1/C25H33FN4O4/c1-16-13-30(17(2)15-31)24(32)21-12-20(28(3)4)10-11-22(21)34-23(16)14-29(5)25(33)27-19-8-6-18(26)7-9-19/h6-12,16-17,23,31H,13-15H2,1-5H3,(H,27,33)/t16-,17+,23-/m0/s1 SMILES (mnx) [CH3:1][C@H:16]1[CH2:13][N:30]([C@H:17]([CH3:2])[CH2:15][OH:31])[C:24](=[O:32])[C:21]2=[C:22]([CH:11]=[CH:10][C:20]([N:28]([CH3:3])[CH3:4])=[CH:12]2)[O:34][C@H:23]1[CH2:14][N:29]([CH3:5])[C:25]([NH:27][C:19]1=[CH:9][CH:7]=[C:18]([F:26])[CH:6]=[CH:8]1)=[O:33]

Parent-child relations graph

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