Pipercyclobutanamide B

Properties Image MNX_ID MNXM129719 reference chebi:191772 formula C36H40N2O6 global charge 0 mol weight 596.724 InChIKey QFSZYBIYCZLMMS-FYHGELSASA-N InChI InChI=1S/C36H40N2O6/c39-33(37-17-5-1-6-18-37)16-13-28-27(10-4-3-9-25-11-14-29-31(21-25)43-23-41-29)35(36(40)38-19-7-2-8-20-38)34(28)26-12-15-30-32(22-26)44-24-42-30/h3-4,9-16,21-22,27-28,34-35H,1-2,5-8,17-20,23-24H2/b9-3+,10-4+,16-13-/t27-,28-,34+,35+/m1/s1 SMILES O=C(/C=C\[C@@H]1[C@@H](/C=C/C=C/C2=CC=C3OCOC3=C2)[C@H](C(=O)N2CCCCC2)[C@H]1C1=CC=C2OCOC2=C1)N1CCCCC1 MNX internals InChI (mnx) InChI=1/C36H40N2O6/c39-33(37-17-5-1-6-18-37)16-13-28-27(10-4-3-9-25-11-14-29-31(21-25)43-23-41-29)35(36(40)38-19-7-2-8-20-38)34(28)26-12-15-30-32(22-26)44-24-42-30/h3-4,9-16,21-22,27-28,34-35H,1-2,5-8,17-20,23-24H2/b9-3+,10-4+,16-13-/t27-,28-,34+,35+/m1/s1 SMILES (mnx) [CH2:1]1[CH2:5][CH2:17][N:37]([C:33](/[CH:16]=[CH:13]\[C@@H:28]2[C@@H:27](/[CH:10]=[CH:4]/[CH:3]=[CH:9]/[C:25]3=[CH:21][C:31]4=[C:29]([CH:14]=[CH:11]3)[O:41][CH2:23][O:43]4)[C@H:35]([C:36]([N:38]3[CH2:19][CH2:7][CH2:2][CH2:8][CH2:20]3)=[O:40])[C@H:34]2[C:26]2=[CH:22][C:32]3=[C:30]([CH:15]=[CH:12]2)[O:42][CH2:24][O:44]3)=[O:39])[CH2:18][CH2:6]1

Parent-child relations graph

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