PDB CCD ID: | JE2 | ||||||||||||
Number of entries in BioLiP: | 8 | ||||||||||||
Chemical formula: | C32 H37 N3 O5 S | ||||||||||||
InChI: | InChI=1S/C32H37N3O5S/c1-20-11-8-9-14-23(20)18-33-30(39)28-32(3,4)41-19-35(28)31(40)27(37)25(17-22-12-6-5-7-13-22)34-29(38)24-15-10-16-26(36)21(24)2/h5-16,25,27-28,36-37H,17-19H2,1-4H3,(H,33,39)(H,34,38)/t25-,27-,28+/m0/s1 | ||||||||||||
InChIKey: | CUFQBQOBLVLKRF-RZDMPUFOSA-N | ||||||||||||
SMILES: |
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Name: | (4R)-3-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-N-(2-methylbenzyl)-1,3-thiazolidine-4-carboxamide; JE-2147; AG1776; KNI-764 | ||||||||||||
ChEMBL: | CHEMBL300891 | ||||||||||||
DrugBank: | DB02668 |