1-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-methoxyphenyl)urea

Properties Image MNX_ID MNXM339464 reference chebi:108776 formula C32H46N4O5 global charge 0 mol weight 566.743 InChIKey QTHBIZIZCLMCFV-IQLGONJTSA-N InChI InChI=1S/C32H46N4O5/c1-22-18-36(23(2)21-37)31(38)17-25-16-27(34-32(39)33-26-10-13-28(40-4)14-11-26)12-15-29(25)41-30(22)20-35(3)19-24-8-6-5-7-9-24/h10-16,22-24,30,37H,5-9,17-21H2,1-4H3,(H2,33,34,39)/t22-,23-,30-/m1/s1 SMILES COC1=CC=C(NC(=O)NC2=CC3=C(C=C2)O[C@H](CN(C)CC2CCCCC2)[C@H](C)CN([C@H](C)CO)C(=O)C3)C=C1 MNX internals InChI (mnx) InChI=1/C32H46N4O5/c1-22-18-36(23(2)21-37)31(38)17-25-16-27(34-32(39)33-26-10-13-28(40-4)14-11-26)12-15-29(25)41-30(22)20-35(3)19-24-8-6-5-7-9-24/h10-16,22-24,30,37H,5-9,17-21H2,1-4H3,(H2,33,34,39)/t22-,23-,30-/m1/s1 SMILES (mnx) [CH3:1][C@@H:22]1[CH2:18][N:36]([C@H:23]([CH3:2])[CH2:21][OH:37])[C:31](=[O:38])[CH2:17][C:25]2=[C:29]([CH:15]=[CH:12][C:27]([NH:34][C:32]([NH:33][C:26]3=[CH:11][CH:14]=[C:28]([O:40][CH3:4])[CH:13]=[CH:10]3)=[O:39])=[CH:16]2)[O:41][C@@H:30]1[CH2:20][N:35]([CH3:3])[CH2:19][CH:24]1[CH2:8][CH2:6][CH2:5][CH2:7][CH2:9]1

Parent-child relations graph

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