Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LHQS57
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| Ligand Name |
2-[(3~{r})-1-[6-Cyclohexylsulfanyl-5-[[(1~{r},3~{s})-5-Oxidanyl-2-Adamantyl]carbamoyl]pyridin-2-Yl]pyrrolidin-3-Yl]ethanoic Acid
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| Synonyms |
2-[(3~{r})-1-[6-Cyclohexylsulfanyl-5-[[(1~{r},3~{s})-5-Oxidanyl-2-Adamantyl]carbamoyl]pyridin-2-Yl]pyrrolidin-3-Yl]ethanoic Acid; 6MX
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| Structure |
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Download2D MOL |
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| Formula |
C28H39N3O4S
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| Canonical SMILES |
C1CCC(CC1)SC2=C(C=CC(=N2)N3CCC(C3)CC(=O)O)C(=O)NC4C5CC6CC4CC(C6)(C5)O
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| InChI |
1S/C28H39N3O4S/c32-24(33)12-17-8-9-31(16-17)23-7-6-22(27(29-23)36-21-4-2-1-3-5-21)26(34)30-25-19-10-18-11-20(25)15-28(35,13-18)14-19/h6-7,17-21,25,35H,1-5,8-16H2,(H,30,34)(H,32,33)/t17-,18?,19-,20+,25?,28?/m1/s1
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| InChIKey |
IYMNIQIFFGLPGI-JOCOVPNXSA-N
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| PubChem Compound ID | ||||
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