Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L9ULG4
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| Ligand Name |
(1~{r},5~{s})-3-[6-(3-Methylbutoxy)-5-[[(1~{r},3~{s})-5-Oxidanyl-2-Adamantyl]carbamoyl]pyridin-2-Yl]-3-Azabicyclo[3.1.0]hexane-6-Carboxylic Acid
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| Synonyms |
(1~{r},5~{s})-3-[6-(3-Methylbutoxy)-5-[[(1~{r},3~{s})-5-Oxidanyl-2-Adamantyl]carbamoyl]pyridin-2-Yl]-3-Azabicyclo[3.1.0]hexane-6-Carboxylic Acid; J3.616.685A; (1alpha,5alpha)-3-[5-(5-Hydroxy-2-adamantylcarbamoyl)-6-(isopentyloxy)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6alpha-carboxylic acid; 6N3
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| Structure |
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Download2D MOL |
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| Formula |
C27H37N3O5
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| Canonical SMILES |
CC(C)CCOC1=C(C=CC(=N1)N2CC3C(C2)C3C(=O)O)C(=O)NC4C5CC6CC4CC(C6)(C5)O
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| InChI |
1S/C27H37N3O5/c1-14(2)5-6-35-25-18(3-4-21(28-25)30-12-19-20(13-30)22(19)26(32)33)24(31)29-23-16-7-15-8-17(23)11-27(34,9-15)10-16/h3-4,14-17,19-20,22-23,34H,5-13H2,1-2H3,(H,29,31)(H,32,33)/t15?,16-,17+,19-,20+,22?,23?,27?
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| InChIKey |
IXFGEDLOELTAGL-CLOKKQCESA-N
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| PubChem Compound ID | ||||
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