Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
LDNO94
|
|||
| Ligand Name |
methyl [(2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-8,11-epimino-1,9-benzodiazacyclotridecin-14-yl]carbamate
|
|||
| Synonyms |
CHEMBL4647704; methyl [(2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-8,11-epimino-1,9-benzodiazacyclotridecin-14-yl]carbamate; SCHEMBL16408880; SCHEMBL16408881; BDBM50539651; QLS
Click to Show/Hide
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C28H27ClF3N9O3
|
|||
| Canonical SMILES |
COC(=O)NC1=CC2=C(C=C1)C3=CN=C(N3)C(CCCCC(N2)C(F)(F)F)NC(=O)C=CC4=C(C=CC(=C4)Cl)N5C=NN=N5
|
|||
| InChI |
1S/C28H27ClF3N9O3/c1-44-27(43)35-18-8-9-19-21(13-18)36-24(28(30,31)32)5-3-2-4-20(26-33-14-22(19)38-26)37-25(42)11-6-16-12-17(29)7-10-23(16)41-15-34-39-40-41/h6-15,20,24,36H,2-5H2,1H3,(H,33,38)(H,35,43)(H,37,42)/b11-6+/t20-,24+/m0/s1
|
|||
| InChIKey |
UXHSEEJCQYWDBB-UENHJXRBSA-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.