| Properties | Image |
|---|
| MNX_ID | MNXM104208 |
 |
| reference | chebi:68763 |
| formula | C32H36N2O5 |
| global charge | 0 |
| mol weight | 528.649 |
| InChIKey | HBNDUJJOOQPFON-TZUKBFFNSA-N |
| InChI | InChI=1S/C32H36N2O5/c1-18-7-6-8-23-14-22(17-35)20(3)29-26(15-21-16-33-25-10-5-4-9-24(21)25)34-31(39)32(23,29)28(37)12-11-27(36)30(38)19(2)13-18/h4-6,8-10,13-14,16,18,20,23,26,29,33,35H,7,11-12,15,17H2,1-3H3,(H,34,39)/b8-6+,19-13?/t18-,20+,23-,26-,29-,32+/m0/s1 |
| SMILES | CC1=C[C@@H](C)C/C=C/[C@H]2C=C(CO)[C@@H](C)[C@H]3[C@H](CC4=CNC5=CC=CC=C45)NC(=O)[C@]32C(=O)CCC(=O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C32H36N2O5/c1-18-7-6-8-23-14-22(17-35)20(3)29-26(15-21-16-33-25-10-5-4-9-24(21)25)34-31(39)32(23,29)28(37)12-11-27(36)30(38)19(2)13-18/h4-6,8-10,13-14,16,18,20,23,26,29,33,35H,7,11-12,15,17H2,1-3H3,(H,34,39)/b8-6+,19-13?/t18-,20+,23-,26-,29-,32+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:18]1[CH2:7]/[CH:6]=[CH:8]/[C@H:23]2[CH:14]=[C:22]([CH2:17][OH:35])[C@@H:20]([CH3:3])[C@H:29]3[C@H:26]([CH2:15][C:21]4=[CH:16][NH:33][C:25]5=[CH:10][CH:5]=[CH:4][CH:9]=[C:24]45)[N:34]=[C:31]([OH:39])[C@@:32]23[C:28](=[O:37])[CH2:12][CH2:11][C:27](=[O:36])[C:30](=[O:38])[C:19]([CH3:2])=[CH:13]1 |
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