| Properties | Image |
|---|
| MNX_ID | MNXM104204 |
 |
| reference | chebi:68814 |
| formula | C32H36N2O5 |
| global charge | 0 |
| mol weight | 528.649 |
| InChIKey | VROGJHMZKMLYET-NKUOSLKNSA-N |
| InChI | InChI=1S/C32H36N2O5/c1-15-8-7-10-22-28(36)17(3)16(2)27-24(12-19-14-33-23-11-6-5-9-20(19)23)34-31(39)32(22,27)25(35)13-21-26(15)18(4)29(37)30(21)38/h5-7,9-11,14-16,21-22,24,26-28,33,36-37H,3,8,12-13H2,1-2,4H3,(H,34,39)/b10-7+/t15-,16+,21+,22-,24-,26-,27-,28+,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@H]2C(=O)C(O)=C(C)[C@@H]2[C@@H](C)C/C=C/[C@H]3[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C32H36N2O5/c1-15-8-7-10-22-28(36)17(3)16(2)27-24(12-19-14-33-23-11-6-5-9-20(19)23)34-31(39)32(22,27)25(35)13-21-26(15)18(4)29(37)30(21)38/h5-7,9-11,14-16,21-22,24,26-28,33,36-37H,3,8,12-13H2,1-2,4H3,(H,34,39)/b10-7+/t15-,16+,21+,22-,24-,26-,27-,28+,32+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:15]1[CH2:8]/[CH:7]=[CH:10]/[C@H:22]2[C@H:28]([OH:36])[C:17](=[CH2:3])[C@@H:16]([CH3:2])[C@H:27]3[C@H:24]([CH2:12][C:19]4=[CH:14][NH:33][C:23]5=[CH:11][CH:6]=[CH:5][CH:9]=[C:20]45)[N:34]=[C:31]([OH:39])[C@@:32]23[C:25](=[O:35])[CH2:13][C@@H:21]2[C@@H:26]1[C:18]([CH3:4])=[C:29]([OH:37])[C:30]2=[O:38] |
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