PDB CCD ID: | 2U0 | ||||||||||||
Number of entries in BioLiP: | 1 | ||||||||||||
Chemical formula: | C33 H37 Cl2 F N2 O5 S2 | ||||||||||||
InChI: | 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 | ||||||||||||
InChIKey: | HNLHOKSDTBAERS-CWIPYCOQSA-N | ||||||||||||
SMILES: |
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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 | ||||||||||||
ChEMBL: | CHEMBL3236357 |