Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L17TQC
|
|||
| Ligand Name |
(3s,6s,7s,9as,3's,6's,7's,9a's)-N,N'-(Benzene-1,4-Diylbis{butane-4,1-Diyl-1h-1,2,3-Triazole-1,4-Diyl[(S)-Phenylmethanediyl]})bis[7-(Hydroxymethyl)-6-{[(2s)-2-(Methylamino)butanoyl]amino}-5-Oxooctahydro-1h-Pyrrolo[1,2-A]azepine-3-Carboxamide]
|
|||
| Synonyms |
(3s,6s,7s,9as,3's,6's,7's,9a's)-N,N'-(Benzene-1,4-Diylbis{butane-4,1-Diyl-1h-1,2,3-Triazole-1,4-Diyl[(S)-Phenylmethanediyl]})bis[7-(Hydroxymethyl)-6-{[(2s)-2-(Methylamino)butanoyl]amino}-5-Oxooctahydro-1h-Pyrrolo[1,2-A]azepine-3-Carboxamide]; CHEMBL2204581; 0O6; CHEMBL2220359; SCHEMBL16676137; BDBM50401491; Q27451275
Click to Show/Hide
|
|||
| Structure |
 |
Download2D MOL
|
||
| Formula |
C64H88N14O8
|
|||
| Canonical SMILES |
CCC(C(=O)NC1C(CCC2CCC(N2C1=O)C(=O)NC(C3=CC=CC=C3)C4=CN(N=N4)CCCCC5=CC=C(C=C5)CCCCN6C=C(N=N6)C(C7=CC=CC=C7)NC(=O)C8CCC9N8C(=O)C(C(CC9)CO)NC(=O)C(CC)NC)CO)NC
|
|||
| InChI |
1S/C64H88N14O8/c1-5-49(65-3)59(81)69-57-45(39-79)27-29-47-31-33-53(77(47)63(57)85)61(83)67-55(43-19-9-7-10-20-43)51-37-75(73-71-51)35-15-13-17-41-23-25-42(26-24-41)18-14-16-36-76-38-52(72-74-76)56(44-21-11-8-12-22-44)68-62(84)54-34-32-48-30-28-46(40-80)58(64(86)78(48)54)70-60(82)50(6-2)66-4/h7-12,19-26,37-38,45-50,53-58,65-66,79-80H,5-6,13-18,27-36,39-40H2,1-4H3,(H,67,83)(H,68,84)(H,69,81)(H,70,82)/t45-,46-,47+,48+,49+,50+,53+,54+,55+,56+,57+,58+/m1/s1
|
|||
| InChIKey |
XKEIDWZKJDOBEL-OKDMWEIPSA-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.