Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L9X0ID
|
|||
| Ligand Name |
N-[(5S,7R,11S,23S)-11-tert-butyl-7-hydroxy-34-(4-methyl-1,3-thiazol-5-yl)-4,10,13-trioxo-15,18,21,25,28,31-hexaoxa-3,9,12-triazatricyclo[30.4.0.05,9]hexatriaconta-1(32),33,35-trien-23-yl]-2-[(7S,9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-9-yl]acetamide
|
|||
| Structure |
 |
Download2D MOL
|
||
| Formula |
C54H70ClN9O11S2
|
|||
| Canonical SMILES |
CC1=C(SC2=C1C(NC(C3=NN=C(N32)C)CC(=O)NC4COCCOCCOCC(=O)NC(C(=O)N5CC(CC5C(=O)NCC6=C(C=C(C=C6)C7=C(N=CS7)C)OCCOCCOC4)O)C(C)(C)C)C8=CC=C(C=C8)Cl)C
|
|||
| InChI |
1S/C54H70ClN9O11S2/c1-31-33(3)77-53-46(31)47(35-10-12-38(55)13-11-35)59-41(50-62-61-34(4)64(50)53)24-44(66)58-39-27-72-17-14-70-16-19-74-29-45(67)60-49(54(5,6)7)52(69)63-26-40(65)23-42(63)51(68)56-25-37-9-8-36(48-32(2)57-30-76-48)22-43(37)75-21-20-71-15-18-73-28-39/h8-13,22,30,39-42,47,49,59,65H,14-21,23-29H2,1-7H3,(H,56,68)(H,58,66)(H,60,67)/t39-,40+,41-,42-,47-,49+/m0/s1
|
|||
| InChIKey |
VFKKFUVFBVEDJY-NXSSZGKESA-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.