1-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(4-methoxyphenyl)urea

Properties Image MNX_ID MNXM339072 reference chebi:127763 formula C32H38N4O7 global charge 0 mol weight 590.677 InChIKey QWIQMHSQTXUQBK-CGQTXMLISA-N InChI InChI=1S/C32H38N4O7/c1-20-15-36(21(2)18-37)31(38)25-6-5-7-26(34-32(39)33-23-9-11-24(40-4)12-10-23)30(25)43-29(20)17-35(3)16-22-8-13-27-28(14-22)42-19-41-27/h5-14,20-21,29,37H,15-19H2,1-4H3,(H2,33,34,39)/t20-,21+,29+/m1/s1 SMILES COC1=CC=C(NC(=O)NC2=CC=CC3=C2O[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)25-6-5-7-26(34-32(39)33-23-9-11-24(40-4)12-10-23)30(25)43-29(20)17-35(3)16-22-8-13-27-28(14-22)42-19-41-27/h5-14,20-21,29,37H,15-19H2,1-4H3,(H2,33,34,39)/t20-,21+,29+/m1/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:25]2=[C:30]([C:26]([N:34]=[C:32]([NH:33][C:23]3=[CH:10][CH:12]=[C:24]([O:40][CH3:4])[CH:11]=[CH:9]3)[OH:39])=[CH:7][CH:5]=[CH:6]2)[O:43][C@H:29]1[CH2:17][N:35]([CH3:3])[CH2:16][C:22]1=[CH:14][C:28]2=[C:27]([CH:13]=[CH:8]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