protuboxepin B

Properties Image MNX_ID MNXM108290 reference chebi:68056 formula C21H21N3O3 global charge 0 mol weight 363.417 InChIKey HGLNJXVDQPBAOO-SJORKVTESA-N InChI InChI=1S/C21H21N3O3/c1-13(2)17-18-23-20-15(10-6-7-11-27-20)21(26)24(18)16(19(25)22-17)12-14-8-4-3-5-9-14/h3-11,13,16-17H,12H2,1-2H3,(H,22,25)/t16-,17+/m1/s1 SMILES CC(C)[C@@H]1NC(=O)[C@@H](CC2=CC=CC=C2)N2C(=O)C3=C(N=C12)OC=CC=C3 MNX internals InChI (mnx) InChI=1/C21H21N3O3/c1-13(2)17-18-23-20-15(10-6-7-11-27-20)21(26)24(18)16(19(25)22-17)12-14-8-4-3-5-9-14/h3-11,13,16-17H,12H2,1-2H3,(H,22,25)/t16-,17+/m1/s1 SMILES (mnx) [CH3:1][CH:13]([CH3:2])[C@H:17]1[C:18]2=[N:23][C:20]3=[C:15]([CH:10]=[CH:6][CH:7]=[CH:11][O:27]3)[C:21](=[O:26])[N:24]2[C@H:16]([CH2:12][C:14]2=[CH:8][CH:4]=[CH:3][CH:5]=[CH:9]2)[C:19]([OH:25])=[N:22]1

Parent-child relations graph

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