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Name | MLS000849526 |
---|---|
Molecular formula | C30H51N5O8 |
IUPAC name | tert-butyl (2S)-2-[[4-[[(2S)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate |
Molecular weight | 609.765 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 4 |
XlogP | 4.6 |
Synonyms | CHEMBL1496143 SMR000463883 HMS2194A14 |
Inchi Key | AGHVQWLBIQDRAA-PMACEKPBSA-N |
Inchi ID | InChI=1S/C30H51N5O8/c1-18(2)16-20(26(39)42-29(6,7)8)35-24(37)22-21(32-17-33-22)23(36)34-19(25(38)41-28(3,4)5)14-12-13-15-31-27(40)43-30(9,10)11/h17-20H,12-16H2,1-11H3,(H,31,40)(H,32,33)(H,34,36)(H,35,37)/t19-,20-/m0/s1 |
PubChem CID | 16746573 |
ChEMBL | CHEMBL1496143 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
4886 | Neuropeptide S receptor | Q6W5P4 | NPSR1 | Homo sapiens (Human) | 371 |
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