Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LJXB84
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| Ligand Name |
(2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((4-(((1R,2R)-2-(methoxymethyl)cyclopropyl)buta-1,3-diyn-1-yl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide
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| Synonyms |
(2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((4-(((1R,2R)-2-(methoxymethyl)cyclopropyl)buta-1,3-diyn-1-yl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide; 9B9
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| Structure |
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Download2D MOL |
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| Formula |
C30H35FN4O4
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| Canonical SMILES |
COCC1CC1C#CC#CC2=CC=C(C=C2)C(=O)NCC3CC(CN3C(=O)C4CC4)NC(=O)C5CC(CN5)F
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| InChI |
1S/C30H35FN4O4/c1-39-18-23-12-22(23)5-3-2-4-19-6-8-20(9-7-19)28(36)33-16-26-14-25(17-35(26)30(38)21-10-11-21)34-29(37)27-13-24(31)15-32-27/h6-9,21-27,32H,10-18H2,1H3,(H,33,36)(H,34,37)/t22-,23+,24+,25-,26-,27+/m1/s1
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| InChIKey |
WSHJZKFMSGXGDG-MSXPJASTSA-N
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| PubChem Compound ID | ||||
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