Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L0QLB4
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| Ligand Name |
(2s)-2-{4-Butoxy-3-[({4-[(3s,5s,7s)-Tricyclo[3.3.1.1~3,7~]dec-1-Yl]benzoyl}amino)methyl]benzyl}butanoic Acid
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| Synonyms |
(2s)-2-{4-Butoxy-3-[({4-[(3s,5s,7s)-Tricyclo[3.3.1.1~3,7~]dec-1-Yl]benzoyl}amino)methyl]benzyl}butanoic Acid; J53
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| Structure |
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Download2D MOL |
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| Formula |
C33H43NO4
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| Canonical SMILES |
CCCCOC1=C(C=C(C=C1)CC(CC)C(=O)O)CNC(=O)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4
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| InChI |
1S/C33H43NO4/c1-3-5-12-38-30-11-6-22(16-26(4-2)32(36)37)17-28(30)21-34-31(35)27-7-9-29(10-8-27)33-18-23-13-24(19-33)15-25(14-23)20-33/h6-11,17,23-26H,3-5,12-16,18-21H2,1-2H3,(H,34,35)(H,36,37)/t23?,24?,25?,26-,33?/m0/s1
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| InChIKey |
DEFUFGZNKMSDHW-XIJSUJFLSA-N
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| PubChem Compound ID | ||||
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