PDB CCD ID: | 0K9 | ||||||||||||
Number of entries in BioLiP: | 3 | ||||||||||||
Chemical formula: | C33 H44 N4 O4 S | ||||||||||||
InChI: | InChI=1S/C33H44N4O4S/c1-21(40-5)29(39)37-26(16-22-8-6-9-24(14-22)31-34-12-13-42-31)28(38)20-35-27-18-33(10-7-11-33)41-30-25(27)15-23(19-36-30)17-32(2,3)4/h6,8-9,12-15,19,21,26-28,35,38H,7,10-11,16-18,20H2,1-5H3,(H,37,39)/t21-,26+,27+,28-/m1/s1 | ||||||||||||
InChIKey: | IUSARDYWEPUTPN-OZBXUNDUSA-N | ||||||||||||
SMILES: |
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Name: | (2R)-N-{(2S,3R)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxy-1-[3-(1,3-thiazol-2-yl)phenyl]butan-2-yl}-2-methoxypropanamide | ||||||||||||
ChEMBL: | CHEMBL2181911 | ||||||||||||
ZINC: | ZINC000043206371 |