1-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea

Properties Image MNX_ID MNXM339659 reference chebi:103745 formula C32H38N4O7 global charge 0 mol weight 590.677 InChIKey NGRSXEMLDRQNMH-KSWJDTNCSA-N InChI InChI=1S/C32H38N4O7/c1-20-15-36(21(2)18-37)31(38)26-14-24(34-32(39)33-23-6-9-25(40-4)10-7-23)8-12-27(26)43-30(20)17-35(3)16-22-5-11-28-29(13-22)42-19-41-28/h5-14,20-21,30,37H,15-19H2,1-4H3,(H2,33,34,39)/t20-,21+,30+/m0/s1 SMILES COC1=CC=C(NC(=O)NC2=CC3=C(C=C2)O[C@H](CN(C)CC2=CC4=C(C=C2)OCO4)[C@@H](C)CN([C@H](C)CO)C3=O)C=C1 MNX internals InChI (mnx) InChI=1/C32H38N4O7/c1-20-15-36(21(2)18-37)31(38)26-14-24(34-32(39)33-23-6-9-25(40-4)10-7-23)8-12-27(26)43-30(20)17-35(3)16-22-5-11-28-29(13-22)42-19-41-28/h5-14,20-21,30,37H,15-19H2,1-4H3,(H2,33,34,39)/t20-,21+,30+/m0/s1 SMILES (mnx) [CH3:1][C@H:20]1[CH2:15][N:36]([C@H:21]([CH3:2])[CH2:18][OH:37])[C:31](=[O:38])[C:26]2=[C:27]([CH:12]=[CH:8][C:24]([N:34]=[C:32]([NH:33][C:23]3=[CH:7][CH:10]=[C:25]([O:40][CH3:4])[CH:9]=[CH:6]3)[OH:39])=[CH:14]2)[O:43][C@@H:30]1[CH2:17][N:35]([CH3:3])[CH2:16][C:22]1=[CH:13][C:29]2=[C:28]([CH:11]=[CH:5]1)[O:41][CH2:19][O:42]2

Parent-child relations graph

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