Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LJ4SP7
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| Ligand Name |
(2-{[(3r,5r,6s)-1-[(1s)-2-(Tert-Butylsulfonyl)-1-Cyclopropylethyl]-6-(4-Chloro-3-Fluorophenyl)-5-(3-Chlorophenyl)-3-Methyl-2-Oxopiperidin-3-Yl]methyl}-1,3-Thiazol-5-Yl)acetic Acid
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| Synonyms |
CHEMBL3236357; (2-{[(3r,5r,6s)-1-[(1s)-2-(Tert-Butylsulfonyl)-1-Cyclopropylethyl]-6-(4-Chloro-3-Fluorophenyl)-5-(3-Chlorophenyl)-3-Methyl-2-Oxopiperidin-3-Yl]methyl}-1,3-Thiazol-5-Yl)acetic Acid; 4ode; SCHEMBL21401500; BDBM50008748; Q27453278; 2U0
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| Structure |
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Download2D MOL |
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| Formula |
C33H37Cl2FN2O5S2
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| Canonical SMILES |
CC1(CC(C(N(C1=O)C(CS(=O)(=O)C(C)(C)C)C2CC2)C3=CC(=C(C=C3)Cl)F)C4=CC(=CC=C4)Cl)CC5=NC=C(S5)CC(=O)O
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| InChI |
1S/C33H37Cl2FN2O5S2/c1-32(2,3)45(42,43)18-27(19-8-9-19)38-30(21-10-11-25(35)26(36)13-21)24(20-6-5-7-22(34)12-20)15-33(4,31(38)41)16-28-37-17-23(44-28)14-29(39)40/h5-7,10-13,17,19,24,27,30H,8-9,14-16,18H2,1-4H3,(H,39,40)/t24-,27-,30-,33-/m1/s1
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| InChIKey |
HNLHOKSDTBAERS-CWIPYCOQSA-N
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| PubChem Compound ID | ||||
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