Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L98IFH
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| Ligand Name |
[(3r,5r,6s)-1-[(2s)-1-(Tert-Butylsulfonyl)butan-2-Yl]-5-(3-Chlorophenyl)-6-(4-Chlorophenyl)-3-Methyl-2-Oxopiperidin-3-Yl]acetic Acid
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| Synonyms |
CHEMBL3125527; [(3r,5r,6s)-1-[(2s)-1-(Tert-Butylsulfonyl)butan-2-Yl]-5-(3-Chlorophenyl)-6-(4-Chlorophenyl)-3-Methyl-2-Oxopiperidin-3-Yl]acetic Acid; 4oas; SCHEMBL9993627; BDBM50448936; Q27453242; 2SW
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| Structure |
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Download2D MOL |
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| Formula |
C28H35Cl2NO5S
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| Canonical SMILES |
CCC(CS(=O)(=O)C(C)(C)C)N1C(C(CC(C1=O)(C)CC(=O)O)C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)Cl
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| InChI |
1S/C28H35Cl2NO5S/c1-6-22(17-37(35,36)27(2,3)4)31-25(18-10-12-20(29)13-11-18)23(19-8-7-9-21(30)14-19)15-28(5,26(31)34)16-24(32)33/h7-14,22-23,25H,6,15-17H2,1-5H3,(H,32,33)/t22-,23+,25+,28+/m0/s1
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| InChIKey |
AXQMSOFCQLTJGV-ZJTSJXPUSA-N
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| PubChem Compound ID | ||||
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