Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
LERU60
|
|||
| Ligand Name |
N-{[(1s)-5-({[4-Bromo-2-({4,44-Dioxo-48-[(3as,4s,6ar)-2-Oxohexahydro-1h-Thieno[3,4-D]imidazol-4-Yl]-7,10,13,16,19,22,25,28,31,34,37,40-Dodecaoxa-3,43-Diazaoctatetracont-1-Yl}oxy)phenyl]carbamoyl}amino)-1-Carboxypentyl]carbamoyl}-L-Glutamic Acid
|
|||
| Synonyms |
CHEMBL3309681; N-{[(1s)-5-({[4-Bromo-2-({4,44-Dioxo-48-[(3as,4s,6ar)-2-Oxohexahydro-1h-Thieno[3,4-D]imidazol-4-Yl]-7,10,13,16,19,22,25,28,31,34,37,40-Dodecaoxa-3,43-Diazaoctatetracont-1-Yl}oxy)phenyl]carbamoyl}amino)-1-Carboxypentyl]carbamoyl}-L-Glutamic Acid; BDBM50046830; Q27461637
Click to Show/Hide
|
|||
| Structure |
 |
Download2D MOL
|
||
| Formula |
C58H97BrN8O24S
|
|||
| Canonical SMILES |
C1C2C(C(S1)CCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCOC3=C(C=CC(=C3)Br)NC(=O)NCCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)NC(=O)N2
|
|||
| InChI |
1S/C58H97BrN8O24S/c59-43-8-9-44(63-56(76)62-13-4-3-5-45(54(72)73)64-57(77)65-46(55(74)75)10-11-52(70)71)48(41-43)91-18-15-61-51(69)12-16-79-19-21-81-23-25-83-27-29-85-31-33-87-35-37-89-39-40-90-38-36-88-34-32-86-30-28-84-26-24-82-22-20-80-17-14-60-50(68)7-2-1-6-49-53-47(42-92-49)66-58(78)67-53/h8-9,41,45-47,49,53H,1-7,10-40,42H2,(H,60,68)(H,61,69)(H,70,71)(H,72,73)(H,74,75)(H2,62,63,76)(H2,64,65,77)(H2,66,67,78)/t45-,46-,47-,49-,53-/m0/s1
|
|||
| InChIKey |
GEHJWUZNJRAVQB-HJXABITDSA-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.