Bioactive Compound Details
| BioID | bio198182 |
|---|---|
| Name | THYMOCTONAN |
| ChEMBL ID | CHEMBL2106038 |
| Molecular Formula | C43H67N9O13 |
| Molecular Weight | 918.06 |
| Molecular Weight (Monoisotopic) | 917.4858 |
| Type | Protein |
| Max Phase | Phase 2 |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | (-)-THYMOCTONAN|LEU-GLU-ASP-GLY-PRO-LYS-PHE-LEU|THF-GAMMA 2|THYMIC HUMORAL FACTOR-GAMMA 2|THYMOCTONAN|TIMOCTONAN |
| Smiles | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(C)C)C(=O)O |
| Inchi | InChI=1S/C43H67N9O13/c1-24(2)19-27(45)37(58)47-29(15-16-35(54)55)40(61)50-31(22-36(56)57)38(59)46-23-34(53)52-18-10-14-33(52)42(63)48-28(13-8-9-17-44)39(60)49-30(21-26-11-6-5-7-12-26)41(62)51-32(43(64)65)20-25(3)4/h5-7,11-12,24-25,27-33H,8-10,13-23,44-45H2,1-4H3,(H,46,59)(H,47,58)(H,48,63)(H,49,60)(H,50,61)(H,51,62)(H,54,55)(H,56,57)(H,64,65)/t27-,28-,29-,30-,31-,32-,33-/m0/s1 |
| Inchi Key | NYJVPTKMDYSZDU-MRNVWEPHSA-N |
| Molecular Species | ZWITTERION |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | 0.02 |
| Records Key | ['THYMOCTONAN'] |
| Records Name | ['THYMOCTONAN'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
