1-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-(4-methoxyphenyl)urea

Properties Image MNX_ID MNXM338821 reference chebi:101076 formula C27H34N4O6 global charge 0 mol weight 510.591 InChIKey OQZDFPDHTDCUCP-FWSIMYTDSA-N InChI InChI=1S/C27H34N4O6/c1-30-9-11-31(12-10-30)25(33)15-20-14-22-21-13-18(5-8-23(21)37-26(22)24(16-32)36-20)29-27(34)28-17-3-6-19(35-2)7-4-17/h3-8,13,20,22,24,26,32H,9-12,14-16H2,1-2H3,(H2,28,29,34)/t20-,22+,24-,26-/m1/s1 SMILES COC1=CC=C(NC(=O)NC2=CC3=C(C=C2)O[C@H]2[C@@H](CO)O[C@@H](CC(=O)N4CCN(C)CC4)C[C@@H]32)C=C1 MNX internals InChI (mnx) InChI=1/C27H34N4O6/c1-30-9-11-31(12-10-30)25(33)15-20-14-22-21-13-18(5-8-23(21)37-26(22)24(16-32)36-20)29-27(34)28-17-3-6-19(35-2)7-4-17/h3-8,13,20,22,24,26,32H,9-12,14-16H2,1-2H3,(H2,28,29,34)/t20-,22+,24-,26-/m1/s1 SMILES (mnx) [CH3:1][N:30]1[CH2:9][CH2:11][N:31]([C:25]([CH2:15][C@H:20]2[CH2:14][C@H:22]3[C:21]4=[C:23]([CH:8]=[CH:5][C:18]([N:29]=[C:27]([NH:28][C:17]5=[CH:4][CH:7]=[C:19]([O:35][CH3:2])[CH:6]=[CH:3]5)[OH:34])=[CH:13]4)[O:37][C@H:26]3[C@@H:24]([CH2:16][OH:32])[O:36]2)=[O:33])[CH2:12][CH2:10]1

Parent-child relations graph

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