Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
B17TRC
|
|||
| Binder Name |
2-[[2-[(1R,2R,3R)-2-[6-Hydroxy-7-methyl-5-oxo-3-[(1R,3S,11R,12R,15R,16R)-3,8,16-trihydroxy-9,15-dimethyl-7-oxo-12-propan-2-yl-2-oxatetracyclo[8.6.1.05,17.011,15]heptadeca-5,8,10(17)-trien-3-yl]cyclohepta-1,3,6-trien-1-yl]-1-methyl-3-propan-2-ylcyclopentyl]-2-oxoethyl]amino]ethanesulfonic acid
|
|||
| Synonyms |
CHEMBL2419839
Click to Show/Hide
|
|||
| Binder Type |
Small molecular drug
|
|||
| Structure |
 |
Download2D MOL
|
||
| Formula |
C42H57NO11S
|
|||
| Canonical SMILES |
CC1=C(C(=O)C=C(C=C1[C@H]2[C@H](CC[C@@]2(C)C(=O)CNCCS(=O)(=O)O)C(C)C)[C@@]3(CC4=CC(=O)C(=C(C5=C4[C@@H](O3)[C@@H]([C@]6([C@@H]5[C@H](CC6)C(C)C)C)O)C)O)O)O
|
|||
| InChI |
1S/C42H57NO11S/c1-20(2)26-9-11-40(7,31(46)19-43-13-14-55(51,52)53)34(26)28-16-25(17-30(45)36(47)22(28)5)42(50)18-24-15-29(44)37(48)23(6)32-33(24)38(54-42)39(49)41(8)12-10-27(21(3)4)35(32)41/h15-17,20-21,26-27,34-35,38-39,43,49-50H,9-14,18-19H2,1-8H3,(H,44,48)(H,45,47)(H,51,52,53)/t26-,27-,34-,35-,38-,39+,40+,41-,42+/m1/s1
|
|||
| InChIKey |
ICNAROAALVLDJI-AWDNKCRRSA-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.