notoamide C

Properties Image MNX_ID MNXM149138 reference chebi:145685 formula C26H31N3O4 global charge 0 mol weight 449.551 InChIKey KNFZHRYXLWKRSU-XWXLMPLOSA-N InChI InChI=1S/C26H31N3O4/c1-6-24(2,3)26(14-17-22(31)29-13-7-8-18(29)21(30)27-17)16-9-10-19-15(20(16)28-23(26)32)11-12-25(4,5)33-19/h6,9-12,17-18H,1,7-8,13-14H2,2-5H3,(H,27,30)(H,28,32)/t17-,18-,26-/m0/s1 SMILES C=CC(C)(C)[C@]1(C[C@@H]2NC(=O)[C@@H]3CCCN3C2=O)C(=O)NC2=C3C=CC(C)(C)OC3=CC=C21 MNX internals InChI (mnx) InChI=1/C26H31N3O4/c1-6-24(2,3)26(14-17-22(31)29-13-7-8-18(29)21(30)27-17)16-9-10-19-15(20(16)28-23(26)32)11-12-25(4,5)33-19/h6,9-12,17-18H,1,7-8,13-14H2,2-5H3,(H,27,30)(H,28,32)/t17-,18-,26-/m0/s1 SMILES (mnx) [CH2:1]=[CH:6][C:24]([CH3:2])([CH3:3])[C@@:26]1([CH2:14][C@H:17]2[C:22](=[O:31])[N:29]3[CH2:13][CH2:7][CH2:8][C@H:18]3[C:21]([OH:30])=[N:27]2)[C:16]2=[C:20]([C:15]3=[C:19]([CH:10]=[CH:9]2)[O:33][C:25]([CH3:4])([CH3:5])[CH:12]=[CH:11]3)[N:28]=[C:23]1[OH:32]

Parent-child relations graph

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