| Properties | Image |
|---|
| MNX_ID | MNXM1396416 |
 |
| reference | chebi:214674 |
| formula | C29H36N2O6 |
| global charge | 0 |
| mol weight | 508.615 |
| InChIKey | NVBUUIVRXJQCMD-JFIVKPLHSA-N |
| InChI | InChI=1S/C29H36N2O6/c1-21-12-8-6-9-13-23(3)29(33)37-27(16-25-18-31-20-35-25)22(2)11-7-4-5-10-14-28(32)36-26(21)15-24-17-30-19-34-24/h4-6,9-10,13-14,17-22,26-27H,7-8,11-12,15-16H2,1-3H3/b5-4+,9-6+,14-10+,23-13+/t21-,22-,26-,27-/m1/s1 |
| SMILES | C/C1=C\C=C\CC[C@@H](C)[C@@H](CC2=CN=CO2)OC(=O)/C=C/C=C/CC[C@@H](C)[C@@H](CC2=CN=CO2)OC1=O |
MNX internals
| InChI (mnx) | InChI=1/C29H36N2O6/c1-21-12-8-6-9-13-23(3)29(33)37-27(16-25-18-31-20-35-25)22(2)11-7-4-5-10-14-28(32)36-26(21)15-24-17-30-19-34-24/h4-6,9-10,13-14,17-22,26-27H,7-8,11-12,15-16H2,1-3H3/b5-4+,9-6+,14-10+,23-13+/t21-,22-,26-,27-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:21]1[CH2:12][CH2:8]/[CH:6]=[CH:9]/[CH:13]=[C:23](\[CH3:3])[C:29](=[O:33])[O:37][C@H:27]([CH2:16][C:25]2=[CH:18][N:31]=[CH:20][O:35]2)[C@H:22]([CH3:2])[CH2:11][CH2:7]/[CH:4]=[CH:5]/[CH:10]=[CH:14]/[C:28](=[O:32])[O:36][C@@H:26]1[CH2:15][C:24]1=[CH:17][N:30]=[CH:19][O:34]1 |
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