Ligand Information
Ligand General Information | Top | |||
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Ligand ID |
LLY73P
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Ligand Name |
Inhibitor bea409
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Synonyms |
INHIBITOR BEA409; CHEMBL127214; N,N-[2,5-O-[DI-4-THIOPHEN-3-YL-BENZYL]-GLUCARYL]-DI-[VALYL-AMIDO-METHANE]; N1,N6-bis[(1S)-2-Methyl-1-(methylcarbamoyl)propyl]-(2R,3R,4R,5R)-2,5-bis[4-(3-thienyl)benzyloxy]-3,4-dihydroxyhexanediamide; 1ec1; C2-Symmetric inhibitor 6; BDBM848; SCHEMBL5967805; symmetric/asymmetric inhibitor 7; DB04547; BEE; Q27458365; (2R,3R,4R,5R)-2,5-Bis[4-(3-thienyl)benzyloxy]-3,4-dihydroxy-N,N'-bis[(S)-1-(methylcarbamoyl)-2-methylpropyl]adipamide; (2R,3R,4R,5R)-3,4-dihydroxy-N,N''-bis[(1S)-2-methyl-1-(methylcarbamoyl)propyl]-2,5-bis({[4-(thiophen-3-yl)phenyl]methoxy})hexanediamide; (2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl-1-(methylcarbamoyl)propyl]-2,5-bis[[4-(3-thienyl)phenyl]methoxy]hexanediamide
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Structure |
Download2D MOL
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Formula |
C40H50N4O8S2
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Canonical SMILES |
CC(C)C(C(=O)NC)NC(=O)C(C(C(C(C(=O)NC(C(C)C)C(=O)NC)OCC1=CC=C(C=C1)C2=CSC=C2)O)O)OCC3=CC=C(C=C3)C4=CSC=C4
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InChI |
1S/C40H50N4O8S2/c1-23(2)31(37(47)41-5)43-39(49)35(51-19-25-7-11-27(12-8-25)29-15-17-53-21-29)33(45)34(46)36(40(50)44-32(24(3)4)38(48)42-6)52-20-26-9-13-28(14-10-26)30-16-18-54-22-30/h7-18,21-24,31-36,45-46H,19-20H2,1-6H3,(H,41,47)(H,42,48)(H,43,49)(H,44,50)/t31-,32-,33+,34+,35+,36+/m0/s1
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InChIKey |
AJZAPEZJWWQJHC-UWNKZCSISA-N
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PubChem Compound ID |
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