Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
LJ9VY8
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| Ligand Name |
(1R,2S)-2-[[(2S)-2-[[(1S)-1-(4,4-difluorocyclohexyl)-2-phenylethoxy]carbonylamino]-4-methylpentanoyl]amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
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| Structure |
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Download2D MOL
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| Formula |
C28H41F2N3O8S
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| Canonical SMILES |
CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC(CC2=CC=CC=C2)C3CCC(CC3)(F)F
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| InChI |
1S/C28H41F2N3O8S/c1-17(2)14-21(25(35)32-22(26(36)42(38,39)40)16-20-10-13-31-24(20)34)33-27(37)41-23(15-18-6-4-3-5-7-18)19-8-11-28(29,30)12-9-19/h3-7,17,19-23,26,36H,8-16H2,1-2H3,(H,31,34)(H,32,35)(H,33,37)(H,38,39,40)/t20-,21-,22-,23-,26+/m0/s1
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| InChIKey |
PDAAZWNVPCMYBL-NRAAZAKSSA-N
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| PubChem Compound ID | ||||
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