DIOX2_008864

Molecular Formula: C₃₂H₃₀N₂O₆S

InChI: InChI=1/C32H30N2O6S/c1-20-27(19-41-28-10-3-2-9-26(28)31(37)38)39-32(40-29(20)22-13-11-21(18-35)12-14-22)23-6-4-8-25(16-23)34-30(36)24-7-5-15-33-17-24/h2-17,20,27,29,32,35H,18-19H2,1H3,(H,34,36)(H,37,38)/t20-,27+,29+,32+/m1/s1/f/h34,37H

InChIKey: InChIKey=MKTYFZGZKIPBFU-CIIPCXFFDB
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)C4=CN=CC=C4)CSC5=CC=CC=C5C(=O)O

Names:
    DIOX2_008864
    2-[[(2S,4S,5S,6S)-6-[4-(hydroxymethyl)phenyl]-5-methyl-2-[3-(pyridine-3-carbonylamino)phenyl]-1,3-dioxan-4-yl]methylsulfanyl]benzoic acid

Registries:
    PubChem CID 6690377
    PubChem ID 11315863