1-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-cyclopentylurea

Properties Image MNX_ID MNXM338840 reference chebi:103013 formula C25H35N3O5 global charge 0 mol weight 457.571 InChIKey GFIPGJIGSRXJBU-YCYVKTGYSA-N InChI InChI=1S/C25H35N3O5/c29-15-22-24-20(13-18(32-22)14-23(30)28-10-4-1-5-11-28)19-12-17(8-9-21(19)33-24)27-25(31)26-16-6-2-3-7-16/h8-9,12,16,18,20,22,24,29H,1-7,10-11,13-15H2,(H2,26,27,31)/t18-,20-,22+,24+/m0/s1 SMILES O=C(NC1=CC2=C(C=C1)O[C@H]1[C@@H](CO)O[C@H](CC(=O)N3CCCCC3)C[C@@H]21)NC1CCCC1 MNX internals InChI (mnx) InChI=1/C25H35N3O5/c29-15-22-24-20(13-18(32-22)14-23(30)28-10-4-1-5-11-28)19-12-17(8-9-21(19)33-24)27-25(31)26-16-6-2-3-7-16/h8-9,12,16,18,20,22,24,29H,1-7,10-11,13-15H2,(H2,26,27,31)/t18-,20-,22+,24+/m0/s1 SMILES (mnx) [CH2:1]1[CH2:4][CH2:10][N:28]([C:23]([CH2:14][C@@H:18]2[CH2:13][C@H:20]3[C:19]4=[C:21]([CH:9]=[CH:8][C:17]([NH:27][C:25](=[N:26][CH:16]5[CH2:6][CH2:2][CH2:3][CH2:7]5)[OH:31])=[CH:12]4)[O:33][C@H:24]3[C@@H:22]([CH2:15][OH:29])[O:32]2)=[O:30])[CH2:11][CH2:5]1

Parent-child relations graph

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