notoamide D

Properties Image MNX_ID MNXM149139 reference chebi:145686 formula C26H31N3O4 global charge 0 mol weight 449.551 InChIKey ZPTMKNVJQZMLNE-SSQYTKQRSA-N InChI InChI=1S/C26H31N3O4/c1-6-23(2,3)26-25(32,14-18-21(30)28-13-7-8-17(28)22(31)29(18)26)16-9-10-19-15(20(16)27-26)11-12-24(4,5)33-19/h6,9-12,17-18,27,32H,1,7-8,13-14H2,2-5H3/t17-,18-,25+,26-/m0/s1 SMILES C=CC(C)(C)[C@@]12NC3=C(C=CC4=C3C=CC(C)(C)O4)[C@]1(O)C[C@H]1C(=O)N3CCC[C@H]3C(=O)N12 MNX internals InChI (mnx) InChI=1/C26H31N3O4/c1-6-23(2,3)26-25(32,14-18-21(30)28-13-7-8-17(28)22(31)29(18)26)16-9-10-19-15(20(16)27-26)11-12-24(4,5)33-19/h6,9-12,17-18,27,32H,1,7-8,13-14H2,2-5H3/t17-,18-,25+,26-/m0/s1 SMILES (mnx) [CH2:1]=[CH:6][C:23]([CH3:2])([CH3:3])[C@@:26]12[C@@:25]([OH:32])([CH2:14][C@H:18]3[C:21](=[O:30])[N:28]4[CH2:13][CH2:7][CH2:8][C@H:17]4[C:22](=[O:31])[N:29]31)[C:16]1=[CH:9][CH:10]=[C:19]3[C:15](=[C:20]1[NH:27]2)[CH:11]=[CH:12][C:24]([CH3:4])([CH3:5])[O:33]3

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0