Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
B3MGH9
|
|||
| Binder Name |
(2S,5S,8S)-2-(1-Benzothiophen-3-ylmethyl)-5-[4-(ethanethioylamino)butyl]-3,6,14,21-tetraoxo-1,4,7,13-tetrazacyclohenicosane-8-carboxamide
|
|||
| Synonyms |
CHEMBL3925899; BDBM50197423
Click to Show/Hide
|
|||
| Binder Type |
Small molecular drug
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C33H48N6O5S2
|
|||
| Canonical SMILES |
CC(=S)NCCCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCCCCC(=O)N[C@H](C(=O)N1)CC2=CSC3=CC=CC=C32)C(=O)N
|
|||
| InChI |
1S/C33H48N6O5S2/c1-22(45)35-18-10-9-14-26-32(43)38-25(31(34)42)13-8-11-19-36-29(40)16-4-2-3-5-17-30(41)37-27(33(44)39-26)20-23-21-46-28-15-7-6-12-24(23)28/h6-7,12,15,21,25-27H,2-5,8-11,13-14,16-20H2,1H3,(H2,34,42)(H,35,45)(H,36,40)(H,37,41)(H,38,43)(H,39,44)/t25-,26-,27-/m0/s1
|
|||
| InChIKey |
ZTIGWNUKJZSQFN-QKDODKLFSA-N
|
|||
| PubChem Compound ID | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.