Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
LJB5D8
|
|||
| Ligand Name |
(1r,2s,5s)-3-[n-({1-[(Tert-Butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-Methyl-L-Valyl]-N-{(1s)-1-[(1r)-2-(Cyclopropylamino)-1-Hydroxy-2-Oxoethyl]pentyl}-6,6-Dimethyl-3-Azabicyclo[3.1.0]hexane-2-Carboxamide
|
|||
| Synonyms |
(1r,2s,5s)-3-[n-({1-[(Tert-Butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-Methyl-L-Valyl]-N-{(1s)-1-[(1r)-2-(Cyclopropylamino)-1-Hydroxy-2-Oxoethyl]pentyl}-6,6-Dimethyl-3-Azabicyclo[3.1.0]hexane-2-Carboxamide; SCHEMBL10310675; ZINC98209237; Q27463877
Click to Show/Hide
|
|||
| Structure |
 |
Download2D MOL
|
||
| Formula |
C36H63N5O7S
|
|||
| Canonical SMILES |
CCCCC(C(C(=O)NC1CC1)O)NC(=O)C2C3C(C3(C)C)CN2C(=O)C(C(C)(C)C)NC(=O)NC4(CCCCC4)CS(=O)(=O)C(C)(C)C
|
|||
| InChI |
1S/C36H63N5O7S/c1-10-11-15-24(27(42)30(44)37-22-16-17-22)38-29(43)26-25-23(35(25,8)9)20-41(26)31(45)28(33(2,3)4)39-32(46)40-36(18-13-12-14-19-36)21-49(47,48)34(5,6)7/h22-28,42H,10-21H2,1-9H3,(H,37,44)(H,38,43)(H2,39,40,46)/t23-,24-,25-,26-,27+,28+/m0/s1
|
|||
| InChIKey |
BZXRATSZUNDEEV-FZFXNXQRSA-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.