Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
BTSL94
|
|||
| Binder Name |
(19S,22R)-22-(Benzylsulfonylamino)-N-[(4-carbamimidoylphenyl)methyl]-3,12,21-trioxo-2,6,9,13,20-pentazatetracyclo[22.2.2.26,9.214,17]dotriaconta-1(27),14(30),15,17(29),24(28),25-hexaene-19-carboxamide;2,2,2-trifluoroacetic acid
|
|||
| Synonyms |
CHEMBL2315243
Click to Show/Hide
|
|||
| Binder Type |
Small molecular drug
|
|||
| Structure |
 |
Download2D MOL
|
||
| Formula |
C45H52F3N9O8S
|
|||
| Canonical SMILES |
C1CN2CCN(CCC(=O)NC3=CC=C(C[C@H](NC(=O)[C@@H](CC4=CC=C(C=C4)NC1=O)NS(=O)(=O)CC5=CC=CC=C5)C(=O)NCC6=CC=C(C=C6)C(=N)N)C=C3)CC2.C(=O)(C(F)(F)F)O
|
|||
| InChI |
1S/C43H51N9O6S.C2HF3O2/c44-41(45)34-12-6-32(7-13-34)28-46-42(55)37-26-30-8-14-35(15-9-30)47-39(53)18-20-51-22-24-52(25-23-51)21-19-40(54)48-36-16-10-31(11-17-36)27-38(43(56)49-37)50-59(57,58)29-33-4-2-1-3-5-33;3-2(4,5)1(6)7/h1-17,37-38,50H,18-29H2,(H3,44,45)(H,46,55)(H,47,53)(H,48,54)(H,49,56);(H,6,7)/t37-,38+;/m0./s1
|
|||
| InChIKey |
RPXSHXJWFUDNDF-FYGBZDAYSA-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.