Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L0W9ZF
|
|||
| Ligand Name |
1,1'-{hexa-2,4-diyne-1,6-diylbis[oxy{(2S,3R)-2-[(N-methyl-L-alanyl)amino]-1-oxobutane-3,1-diyl}(2S)pyrrolidine-1,2-diylmethanediyl]}bis[5-(phenylsulfanyl)-1H-tetrazole]
|
|||
| Synonyms |
1,1'-{hexa-2,4-diyne-1,6-diylbis[oxy{(2S,3R)-2-[(N-methyl-L-alanyl)amino]-1-oxobutane-3,1-diyl}(2S)pyrrolidine-1,2-diylmethanediyl]}bis[5-(phenylsulfanyl)-1H-tetrazole]; SMAC-007; SCHEMBL14338805; Q27459016; 3,3'-[2,4-Hexadiyne-1,6-diylbis(oxy)]bis[(2S,3R)-1-[(2S)-2-[5-(phenylthio)-1H-tetrazole-1-ylmethyl]pyrrolizino]-2-[[(2S)-2-(methylamino)propionyl]amino]-1-butanone]
Click to Show/Hide
|
|||
| Structure |
 |
Download2D MOL
|
||
| Formula |
C46H60N14O6S2
|
|||
| Canonical SMILES |
CC(C(C(=O)N1CCCC1CN2C(=NN=N2)SC3=CC=CC=C3)NC(=O)C(C)NC)OCC#CC#CCOC(C)C(C(=O)N4CCCC4CN5C(=NN=N5)SC6=CC=CC=C6)NC(=O)C(C)NC
|
|||
| InChI |
1S/C46H60N14O6S2/c1-31(47-5)41(61)49-39(43(63)57-25-17-19-35(57)29-59-45(51-53-55-59)67-37-21-11-9-12-22-37)33(3)65-27-15-7-8-16-28-66-34(4)40(50-42(62)32(2)48-6)44(64)58-26-18-20-36(58)30-60-46(52-54-56-60)68-38-23-13-10-14-24-38/h9-14,21-24,31-36,39-40,47-48H,17-20,25-30H2,1-6H3,(H,49,61)(H,50,62)/t31-,32-,33+,34+,35-,36-,39-,40-/m0/s1
|
|||
| InChIKey |
CDUYVSXKBIKUNH-RAUIGOKHSA-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.