Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
LJUE12
|
|||
| Ligand Name |
(2S)-2-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-N-[(3S)-6-[(2S)-2-(1H-indol-3-ylmethyl)-3-methoxy-5-oxo-2H-pyrrol-1-yl]-6-oxo-1-phenylhexan-3-yl]-4-methylpentanamide
|
|||
| Structure |
 |
Download2D MOL
|
||
| Formula |
C45H64N6O6
|
|||
| Canonical SMILES |
CC(C)CC(C(=O)NC(CCC1=CC=CC=C1)CCC(=O)N2C(C(=CC2=O)OC)CC3=CNC4=CC=CC=C43)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)N(C)C
|
|||
| InChI |
1S/C45H64N6O6/c1-28(2)23-36(48-44(55)37(24-29(3)4)49-45(56)42(30(5)6)50(7)8)43(54)47-33(20-19-31-15-11-10-12-16-31)21-22-40(52)51-38(39(57-9)26-41(51)53)25-32-27-46-35-18-14-13-17-34(32)35/h10-18,26-30,33,36-38,42,46H,19-25H2,1-9H3,(H,47,54)(H,48,55)(H,49,56)/t33-,36-,37-,38-,42-/m0/s1
|
|||
| InChIKey |
YMHSWXIOFQGBAE-SDOACRIHSA-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.