Bioactive Compound Details
| BioID | bio88663 |
|---|---|
| Name | DEMOTENSIN 2 |
| ChEMBL ID | CHEMBL1791383 |
| Molecular Formula | C48H87N15O9 |
| Molecular Weight | 1018.32 |
| Molecular Weight (Monoisotopic) | 1017.6811 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar101 |
| Target Name | None |
| Synonyms | Demotensin 2 |
| Smiles | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NCC(CCCCN)NC(=O)CNC(=O)C(CNCCN)CNCCN)C(=O)N[C@@H](CC(C)C)C(=O)O |
| Inchi | InChI=1S/C48H87N15O9/c1-5-31(4)41(45(69)61-38(47(71)72)24-30(2)3)62-43(67)37(25-32-13-15-35(64)16-14-32)60-44(68)39-12-9-23-63(39)46(70)36(11-8-20-56-48(52)53)57-28-34(10-6-7-17-49)59-40(65)29-58-42(66)33(26-54-21-18-50)27-55-22-19-51/h13-16,30-31,33-34,36-39,41,54-55,57,64H,5-12,17-29,49-51H2,1-4H3,(H,58,66)(H,59,65)(H,60,68)(H,61,69)(H,62,67)(H,71,72)(H4,52,53,56)/t31-,34?,36-,37-,38-,39-,41-/m0/s1 |
| Inchi Key | DMDCNLGMRLTMHD-PLXGHWBHSA-N |
| Molecular Species | None |
| Targets | 1.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | None |
| Records Key | ['Demotensin 2'] |
| Records Name | ['Demotensin 2'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
