1-[[(2R,3S)-8-(3-fluorophenyl)-5-[(2R)-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-(1-naphthalenyl)urea

Properties Image MNX_ID MNXM341303 reference chebi:96106 formula C32H33FN4O4 global charge 0 mol weight 556.638 InChIKey LFKRZQVCQDAKMN-FONBTEPMSA-N InChI InChI=1S/C32H33FN4O4/c1-20-17-37(21(2)19-38)31(39)27-15-24(23-10-6-11-25(33)14-23)16-34-30(27)41-29(20)18-36(3)32(40)35-28-13-7-9-22-8-4-5-12-26(22)28/h4-16,20-21,29,38H,17-19H2,1-3H3,(H,35,40)/t20-,21+,29-/m0/s1 SMILES C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)NC2=CC=CC3=CC=CC=C32)OC2=C(C=C(C3=CC(F)=CC=C3)C=N2)C1=O MNX internals InChI (mnx) InChI=1/C32H33FN4O4/c1-20-17-37(21(2)19-38)31(39)27-15-24(23-10-6-11-25(33)14-23)16-34-30(27)41-29(20)18-36(3)32(40)35-28-13-7-9-22-8-4-5-12-26(22)28/h4-16,20-21,29,38H,17-19H2,1-3H3,(H,35,40)/t20-,21+,29-/m0/s1 SMILES (mnx) [CH3:1][C@H:20]1[CH2:17][N:37]([C@H:21]([CH3:2])[CH2:19][OH:38])[C:31](=[O:39])[C:27]2=[C:30]([N:34]=[CH:16][C:24]([C:23]3=[CH:14][C:25]([F:33])=[CH:11][CH:6]=[CH:10]3)=[CH:15]2)[O:41][C@H:29]1[CH2:18][N:36]([CH3:3])[C:32](=[N:35][C:28]1=[CH:13][CH:7]=[CH:9][C:22]2=[CH:8][CH:4]=[CH:5][CH:12]=[C:26]21)[OH:40]

Parent-child relations graph

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