1-[[(2R,3R)-8-(benzenesulfonamido)-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 MNXM341200 reference chebi:129979 formula C29H33FN4O6S global charge 0 mol weight 584.67 InChIKey JVHWMDYUDFIPKY-DVHCVUMVSA-N InChI InChI=1S/C29H33FN4O6S/c1-19-16-34(20(2)18-35)28(36)25-15-23(32-41(38,39)24-7-5-4-6-8-24)13-14-26(25)40-27(19)17-33(3)29(37)31-22-11-9-21(30)10-12-22/h4-15,19-20,27,32,35H,16-18H2,1-3H3,(H,31,37)/t19-,20-,27+/m1/s1 SMILES C[C@@H]1CN([C@H](C)CO)C(=O)C2=C(C=CC(NS(=O)(=O)C3=CC=CC=C3)=C2)O[C@H]1CN(C)C(=O)NC1=CC=C(F)C=C1 MNX internals InChI (mnx) InChI=1/C29H33FN4O6S/c1-19-16-34(20(2)18-35)28(36)25-15-23(32-41(38,39)24-7-5-4-6-8-24)13-14-26(25)40-27(19)17-33(3)29(37)31-22-11-9-21(30)10-12-22/h4-15,19-20,27,32,35H,16-18H2,1-3H3,(H,31,37)/t19-,20-,27+/m1/s1 SMILES (mnx) [CH3:1][C@@H:19]1[CH2:16][N:34]([C@H:20]([CH3:2])[CH2:18][OH:35])[C:28](=[O:36])[C:25]2=[C:26]([CH:14]=[CH:13][C:23]([NH:32][S:41]([C:24]3=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]3)(=[O:38])=[O:39])=[CH:15]2)[O:40][C@H:27]1[CH2:17][N:33]([CH3:3])[C:29]([NH:31][C:22]1=[CH:12][CH:10]=[C:21]([F:30])[CH:9]=[CH:11]1)=[O:37]

Parent-child relations graph

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