Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LA5RJ3
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| Ligand Name |
(3-{(1r)-3-(3,4-Dimethoxyphenyl)-1-[({(2s)-1-[(2s)-2-(3,4,5-Trimethoxyphenyl)pent-4-Enoyl]piperidin-2-Yl}carbonyl)oxy]propyl}phenoxy)acetic Acid
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| Synonyms |
IFIT1; (3-{(1r)-3-(3,4-Dimethoxyphenyl)-1-[({(2s)-1-[(2s)-2-(3,4,5-Trimethoxyphenyl)pent-4-Enoyl]piperidin-2-Yl}carbonyl)oxy]propyl}phenoxy)acetic Acid; 4tw6; SCHEMBL16586136; Q27453601; [3-[(R)-1-[[[1-[(S)-2-(3,4,5-Trimethoxyphenyl)-4-pentenoyl]piperidine-2alpha-yl]carbonyl]oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy]acetic acid; 37L
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| Structure |
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Download2D MOL
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| Formula |
C39H47NO11
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| Canonical SMILES |
COC1=C(C=C(C=C1)CCC(C2=CC(=CC=C2)OCC(=O)O)OC(=O)C3CCCCN3C(=O)C(CC=C)C4=CC(=C(C(=C4)OC)OC)OC)OC
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| InChI |
1S/C39H47NO11/c1-7-11-29(27-22-34(47-4)37(49-6)35(23-27)48-5)38(43)40-19-9-8-14-30(40)39(44)51-31(26-12-10-13-28(21-26)50-24-36(41)42)17-15-25-16-18-32(45-2)33(20-25)46-3/h7,10,12-13,16,18,20-23,29-31H,1,8-9,11,14-15,17,19,24H2,2-6H3,(H,41,42)/t29-,30-,31+/m0/s1
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| InChIKey |
GTVAUHXUMYENSK-RWSKJCERSA-N
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| PubChem Compound ID | ||||
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