Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LIB54U
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| Ligand Name |
[(2r,5r,6r)-4-[(1s)-2-(Tert-Butylsulfonyl)-1-Cyclopropylethyl]-6-(3-Chlorophenyl)-5-(4-Chlorophenyl)-3-Oxomorpholin-2-Yl]acetic Acid
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| Synonyms |
CHEMBL3233140; [(2r,5r,6r)-4-[(1s)-2-(Tert-Butylsulfonyl)-1-Cyclopropylethyl]-6-(3-Chlorophenyl)-5-(4-Chlorophenyl)-3-Oxomorpholin-2-Yl]acetic Acid; AM-8735; 4oba; SCHEMBL14830871; BDBM50007638; HY-12734; CS-0012311; Q27453272; 2TW
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| Structure |
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Download2D MOL |
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| Formula |
C27H31Cl2NO6S
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| Canonical SMILES |
CC(C)(C)S(=O)(=O)CC(C1CC1)N2C(C(OC(C2=O)CC(=O)O)C3=CC(=CC=C3)Cl)C4=CC=C(C=C4)Cl
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| InChI |
1S/C27H31Cl2NO6S/c1-27(2,3)37(34,35)15-21(16-7-8-16)30-24(17-9-11-19(28)12-10-17)25(18-5-4-6-20(29)13-18)36-22(26(30)33)14-23(31)32/h4-6,9-13,16,21-22,24-25H,7-8,14-15H2,1-3H3,(H,31,32)/t21-,22-,24-,25-/m1/s1
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| InChIKey |
ZTMSSDQFJNEUNG-WMMXXEOUSA-N
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| PubChem Compound ID | ||||
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