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

Properties Image MNX_ID MNXM344569 reference chebi:124463 formula C29H41N5O4 global charge 0 mol weight 523.678 InChIKey YVEASBWYPHDRCF-BUEREQSYSA-N InChI InChI=1S/C29H41N5O4/c1-20-16-34(21(2)19-35)28(36)25-15-24(32-29(37)31-23-7-5-4-6-8-23)9-10-26(25)38-27(20)18-33(3)17-22-11-13-30-14-12-22/h9-15,20-21,23,27,35H,4-8,16-19H2,1-3H3,(H2,31,32,37)/t20-,21+,27+/m1/s1 SMILES C[C@@H]1CN([C@@H](C)CO)C(=O)C2=C(C=CC(NC(=O)NC3CCCCC3)=C2)O[C@H]1CN(C)CC1=CC=NC=C1 MNX internals InChI (mnx) InChI=1/C29H41N5O4/c1-20-16-34(21(2)19-35)28(36)25-15-24(32-29(37)31-23-7-5-4-6-8-23)9-10-26(25)38-27(20)18-33(3)17-22-11-13-30-14-12-22/h9-15,20-21,23,27,35H,4-8,16-19H2,1-3H3,(H2,31,32,37)/t20-,21+,27+/m1/s1 SMILES (mnx) [CH3:1][C@@H:20]1[CH2:16][N:34]([C@@H:21]([CH3:2])[CH2:19][OH:35])[C:28](=[O:36])[C:25]2=[C:26]([CH:10]=[CH:9][C:24]([NH:32][C:29](=[N:31][CH:23]3[CH2:7][CH2:5][CH2:4][CH2:6][CH2:8]3)[OH:37])=[CH:15]2)[O:38][C@H:27]1[CH2:18][N:33]([CH3:3])[CH2:17][C:22]1=[CH:12][CH:14]=[N:30][CH:13]=[CH:11]1

Parent-child relations graph

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