| Properties | Image |
|---|
| MNX_ID | MNXM103675 |
 |
| reference | chebi:68807 |
| formula | C32H36N2O5 |
| global charge | 0 |
| mol weight | 528.649 |
| InChIKey | FTBNYQWFSWKCKW-WHHLLCSSSA-N |
| InChI | InChI=1S/C32H36N2O5/c1-17-8-7-10-23-30(38)20(4)19(3)28-25(15-21-16-33-24-11-6-5-9-22(21)24)34-31(39)32(23,28)27(36)13-12-26(35)29(37)18(2)14-17/h5-7,9-14,16-17,19,23,25,28-30,33,37-38H,4,8,15H2,1-3H3,(H,34,39)/b10-7+,13-12+,18-14+/t17-,19+,23-,25-,28-,29+,30+,32+/m0/s1 |
| SMILES | C=C1[C@@H](C)[C@H]2[C@H](CC3=CNC4=CC=CC=C34)NC(=O)[C@]23C(=O)/C=C/C(=O)[C@H](O)/C(C)=C/[C@@H](C)C/C=C/[C@H]3[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C32H36N2O5/c1-17-8-7-10-23-30(38)20(4)19(3)28-25(15-21-16-33-24-11-6-5-9-22(21)24)34-31(39)32(23,28)27(36)13-12-26(35)29(37)18(2)14-17/h5-7,9-14,16-17,19,23,25,28-30,33,37-38H,4,8,15H2,1-3H3,(H,34,39)/b10-7+,13-12+,18-14+/t17-,19+,23-,25-,28-,29+,30+,32+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:17]1[CH2:8]/[CH:7]=[CH:10]/[C@H:23]2[C@H:30]([OH:38])[C:20](=[CH2:4])[C@@H:19]([CH3:3])[C@H:28]3[C@H:25]([CH2:15][C:21]4=[CH:16][NH:33][C:24]5=[CH:11][CH:6]=[CH:5][CH:9]=[C:22]45)[N:34]=[C:31]([OH:39])[C@@:32]23[C:27](=[O:36])/[CH:13]=[CH:12]/[C:26](=[O:35])[C@H:29]([OH:37])/[C:18]([CH3:2])=[CH:14]/1 |
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