Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LE68QJ
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| Ligand Name |
(E,2r,3r,4s,5r)-N-(2,3-Dihydro-1h-Inden-2-Yl)-2-Methoxy-8,8-Dimethyl-3,4,5-Tris(Oxidanyl)non-6-Enamide
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| Synonyms |
CHEMBL1738933; (E,2r,3r,4s,5r)-N-(2,3-Dihydro-1h-Inden-2-Yl)-2-Methoxy-8,8-Dimethyl-3,4,5-Tris(Oxidanyl)non-6-Enamide; 3pkd; 3pke; (E,2R,3R,4S,5R)-3,4,5-trihydroxy-N-indan-2-yl-2-methoxy-8,8-dimethyl-non-6-enamide; Y10; BDBM50398197; Q27467680; (2r,3r,4s,5r,6e)-N-(2,3-Dihydro-1h-Inden-2-Yl)-3,4,5-Trihydroxy-2-Methoxy-8,8-Dimethylnon-6-Enamide (Non-Preferred Name); (2R,3R,4S,5R,E)-N-(2,3-Dihydro-1H-inden-2-yl)-3,4,5-trihydroxy-2-methoxy-8,8-dimethylnon-6-enamide
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| Structure |
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Download2D MOL |
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| Formula |
C21H31NO5
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| Canonical SMILES |
CC(C)(C)C=CC(C(C(C(C(=O)NC1CC2=CC=CC=C2C1)OC)O)O)O
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| InChI |
1S/C21H31NO5/c1-21(2,3)10-9-16(23)17(24)18(25)19(27-4)20(26)22-15-11-13-7-5-6-8-14(13)12-15/h5-10,15-19,23-25H,11-12H2,1-4H3,(H,22,26)/b10-9+/t16-,17+,18-,19-/m1/s1
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| InChIKey |
XTHOIFAGDPGJPZ-PQQJDVFMSA-N
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| PubChem Compound ID | ||||
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