Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LGQI95
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| Ligand Name |
(2r)-5-{[(2s,3r)-4-{[1-(3-Tert-Butylphenyl)cyclohexyl]amino}-1-(3,5-Difluorophenyl)-3-Hydroxybutan-2-Yl]amino}-2-Hydroxy-5-Oxopentanoic Acid
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| Synonyms |
(2r)-5-{[(2s,3r)-4-{[1-(3-Tert-Butylphenyl)cyclohexyl]amino}-1-(3,5-Difluorophenyl)-3-Hydroxybutan-2-Yl]amino}-2-Hydroxy-5-Oxopentanoic Acid; Q27451884; 1BL
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| Structure |
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Download2D MOL |
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| Formula |
C31H42F2N2O5
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| Canonical SMILES |
CC(C)(C)C1=CC=CC(=C1)C2(CCCCC2)NCC(C(CC3=CC(=CC(=C3)F)F)NC(=O)CCC(C(=O)O)O)O
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| InChI |
1S/C31H42F2N2O5/c1-30(2,3)21-8-7-9-22(17-21)31(12-5-4-6-13-31)34-19-27(37)25(16-20-14-23(32)18-24(33)15-20)35-28(38)11-10-26(36)29(39)40/h7-9,14-15,17-18,25-27,34,36-37H,4-6,10-13,16,19H2,1-3H3,(H,35,38)(H,39,40)/t25-,26+,27+/m0/s1
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| InChIKey |
ZQBAKJWCBZPMKW-OYUWMTPXSA-N
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| PubChem Compound ID | ||||
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