Ligand Information
Ligand General Information | Top | |||
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Ligand ID |
LM4R6I
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Ligand Name |
N,N-[2,5-O-DI-2-Fluoro-benzyl-glucaryl]-DI-[1-amino-indan-2-OL]
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Synonyms |
N,N-[2,5-O-DI-2-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL]; INHIBITOR BEA403; 1ec0; SCHEMBL5967851; 1-Valine Methylamide deriv. 12; DTXSID001111979; DB02629; Q27458362; (2R,3R,4R,5R)-2,5-Bis(2-fluorobenzyloxy)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-1-indanyl]hexanediamide; (2R,3R,4R,5R)-2,5-bis[(2-fluorophenyl)methoxy]-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxyindan-1-yl]hexanediamide; 214139-29-4; N1, N6-Bis[(1S,2R)-hydroxy-1-(S)indanyl]-(2R,3R,4R,5R)-2,5-bis-(2-fluorobenzyloxy)-3,4-dihydroxyhexanediamide; N1,N6-Bis[(1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]-2,5-bis-O-[(2-fluorophenyl)methyl]-L-mannaramide
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Structure |
Download2D MOL |
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Formula |
C38H38F2N2O8
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Canonical SMILES |
C1C(C(C2=CC=CC=C21)NC(=O)C(C(C(C(C(=O)NC3C(CC4=CC=CC=C34)O)OCC5=CC=CC=C5F)O)O)OCC6=CC=CC=C6F)O
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InChI |
1S/C38H38F2N2O8/c39-27-15-7-3-11-23(27)19-49-35(37(47)41-31-25-13-5-1-9-21(25)17-29(31)43)33(45)34(46)36(50-20-24-12-4-8-16-28(24)40)38(48)42-32-26-14-6-2-10-22(26)18-30(32)44/h1-16,29-36,43-46H,17-20H2,(H,41,47)(H,42,48)/t29-,30-,31+,32+,33-,34-,35-,36-/m1/s1
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InChIKey |
LYHLPPXMBKMSSZ-JQFCFGFHSA-N
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PubChem Compound ID |
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