1-[[(2R,3R)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea

Properties Image MNX_ID MNXM341206 reference chebi:124876 formula C29H36N4O4 global charge 0 mol weight 504.631 InChIKey FZIWMBCZXHBNOC-JVAFGIKQSA-N InChI InChI=1S/C29H36N4O4/c1-19-16-33(20(2)18-34)28(35)24-15-22(31(3)4)13-14-26(24)37-27(19)17-32(5)29(36)30-25-12-8-10-21-9-6-7-11-23(21)25/h6-15,19-20,27,34H,16-18H2,1-5H3,(H,30,36)/t19-,20+,27+/m1/s1 SMILES C[C@@H]1CN([C@@H](C)CO)C(=O)C2=C(C=CC(N(C)C)=C2)O[C@H]1CN(C)C(=O)NC1=CC=CC2=CC=CC=C21 MNX internals InChI (mnx) InChI=1/C29H36N4O4/c1-19-16-33(20(2)18-34)28(35)24-15-22(31(3)4)13-14-26(24)37-27(19)17-32(5)29(36)30-25-12-8-10-21-9-6-7-11-23(21)25/h6-15,19-20,27,34H,16-18H2,1-5H3,(H,30,36)/t19-,20+,27+/m1/s1 SMILES (mnx) [CH3:1][C@@H:19]1[CH2:16][N:33]([C@@H:20]([CH3:2])[CH2:18][OH:34])[C:28](=[O:35])[C:24]2=[C:26]([CH:14]=[CH:13][C:22]([N:31]([CH3:3])[CH3:4])=[CH:15]2)[O:37][C@H:27]1[CH2:17][N:32]([CH3:5])[C:29](=[N:30][C:25]1=[CH:12][CH:8]=[CH:10][C:21]2=[CH:9][CH:6]=[CH:7][CH:11]=[C:23]21)[OH:36]

Parent-child relations graph

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