| Properties | Image |
|---|
| MNX_ID | MNXM101514 |
 |
| reference | chebi:68729 |
| formula | C34H38N2O6 |
| global charge | 0 |
| mol weight | 570.686 |
| InChIKey | AZLAYOMQTNEYFJ-JUDRFADKSA-N |
| InChI | InChI=1S/C34H38N2O6/c1-18-9-8-11-24-31-33(5,42-31)20(3)29-26(16-22-17-35-25-12-7-6-10-23(22)25)36-32(40)34(24,29)28(39)14-13-27(38)30(19(2)15-18)41-21(4)37/h6-8,10-15,17-18,20,24,26,29-31,35H,9,16H2,1-5H3,(H,36,40)/b11-8+,14-13+,19-15+/t18-,20-,24-,26-,29-,30+,31?,33+,34+/m0/s1 |
| SMILES | CC(=O)O[C@H]1C(=O)/C=C/C(=O)[C@@]23C(=O)N[C@@H](CC4=CNC5=CC=CC=C45)[C@@H]2[C@H](C)[C@@]2(C)OC2[C@@H]3/C=C/C[C@H](C)/C=C/1C |
MNX internals
| InChI (mnx) | InChI=1/C34H38N2O6/c1-18-9-8-11-24-31-33(5,42-31)20(3)29-26(16-22-17-35-25-12-7-6-10-23(22)25)36-32(40)34(24,29)28(39)14-13-27(38)30(19(2)15-18)41-21(4)37/h6-8,10-15,17-18,20,24,26,29-31,35H,9,16H2,1-5H3,(H,36,40)/b11-8+,14-13+,19-15+/t18-,20-,24-,26-,29-,30+,31?,33+,34+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:18]1[CH2:9]/[CH:8]=[CH:11]/[C@H:24]2[CH:31]3[C@@:33]([CH3:5])([C@@H:20]([CH3:3])[C@H:29]4[C@H:26]([CH2:16][C:22]5=[CH:17][NH:35][C:25]6=[CH:12][CH:7]=[CH:6][CH:10]=[C:23]56)[N:36]=[C:32]([OH:40])[C@@:34]24[C:28](=[O:39])/[CH:14]=[CH:13]/[C:27](=[O:38])[C@H:30]([O:41][C:21]([CH3:4])=[O:37])/[C:19]([CH3:2])=[CH:15]/1)[O:42]3 |
|