Pipercyclobutanamide A(rel)

Properties Image MNX_ID MNXM107999 reference chebi:66757 formula C34H38N2O6 global charge 0 mol weight 570.686 InChIKey MWYIPUPDBMGRSR-KZRNGNIQSA-N InChI InChI=1S/C34H38N2O6/c37-31(35-15-3-1-4-16-35)14-11-25-26(10-7-23-8-12-27-29(19-23)41-21-39-27)33(34(38)36-17-5-2-6-18-36)32(25)24-9-13-28-30(20-24)42-22-40-28/h7-14,19-20,25-26,32-33H,1-6,15-18,21-22H2/b10-7+,14-11-/t25-,26-,32+,33+/m1/s1 SMILES O=C(/C=C\[C@@H]1[C@@H](/C=C/C2=CC3=C(C=C2)OCO3)[C@H](C(=O)N2CCCCC2)[C@H]1C1=CC=C2OCOC2=C1)N1CCCCC1 MNX internals InChI (mnx) InChI=1/C34H38N2O6/c37-31(35-15-3-1-4-16-35)14-11-25-26(10-7-23-8-12-27-29(19-23)41-21-39-27)33(34(38)36-17-5-2-6-18-36)32(25)24-9-13-28-30(20-24)42-22-40-28/h7-14,19-20,25-26,32-33H,1-6,15-18,21-22H2/b10-7+,14-11-/t25-,26-,32+,33+/m1/s1 SMILES (mnx) [CH2:1]1[CH2:3][CH2:15][N:35]([C:31](/[CH:14]=[CH:11]\[C@@H:25]2[C@@H:26](/[CH:10]=[CH:7]/[C:23]3=[CH:19][C:29]4=[C:27]([CH:12]=[CH:8]3)[O:39][CH2:21][O:41]4)[C@H:33]([C:34]([N:36]3[CH2:17][CH2:5][CH2:2][CH2:6][CH2:18]3)=[O:38])[C@H:32]2[C:24]2=[CH:20][C:30]3=[C:28]([CH:13]=[CH:9]2)[O:40][CH2:22][O:42]3)=[O:37])[CH2:16][CH2:4]1

Parent-child relations graph

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