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| Name | CHEMBL340847 |
|---|---|
| Molecular formula | C35H57N7O9 |
| IUPAC name | 4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]butanoic acid |
| Molecular weight | 719.881 |
| Hydrogen bond acceptor | 10 |
| Hydrogen bond donor | 9 |
| XlogP | -0.8 |
| Synonyms | BDBM50001441 4-(1-{1-[1-({[1-(1-Carbamoyl-3-methyl-butylcarbamoyl)-3-methyl-butylcarbamoyl]-methyl}-carbamoyl)-2-methyl-propylcarbamoyl]-2-phenyl-ethylcarbamoyl}-2-hydroxy-ethylamino)-butyric acid |
| Inchi Key | OKXLCQCBXLVKMG-DJNSEWAMSA-N |
| Inchi ID | InChI=1S/C35H57N7O9/c1-20(2)15-24(31(36)47)40-32(48)25(16-21(3)4)39-28(44)18-38-35(51)30(22(5)6)42-33(49)26(17-23-11-8-7-9-12-23)41-34(50)27(19-43)37-14-10-13-29(45)46/h7-9,11-12,20-22,24-27,30,37,43H,10,13-19H2,1-6H3,(H2,36,47)(H,38,51)(H,39,44)(H,40,48)(H,41,50)(H,42,49)(H,45,46)/t24-,25-,26-,27-,30-/m0/s1 |
| PubChem CID | 15042801 |
| ChEMBL | CHEMBL340847 |
| IUPHAR | N/A |
| BindingDB | 50001441 |
| DrugBank | N/A |
Structure |  |
| Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. |
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| GLASS ID | Name | UniProt | Gene | Species | Length |
|---|---|---|---|---|---|
| 243983 | Substance-K receptor | P51144 | TACR2 | Mesocricetus auratus (Golden hamster) | 384 |
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