DIOX2_017225

Molecular Formula: C53H45N3O6S


InChI: InChI=1/C53H45N3O6S/c57-34-36-20-22-38(23-21-36)48-32-46(35-63-53-56-49(39-12-4-1-5-13-39)50(62-53)40-14-6-2-7-15-40)60-51(61-48)41-26-24-37(25-27-41)47-19-11-10-16-42(47)33-54-52(58)55-43-28-30-45(31-29-43)59-44-17-8-3-9-18-44/h1-31,46,48,51,57H,32-35H2,(H2,54,55,58)/t46-,48+,51+/m0/s1/f/h54-55H

InChIKey: InChIKey=MCKLLAQVSAFAEN-RZIXLRKTDJ
SMILES: C1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC=C4CNC(=O)NC5=CC=C(C=C5)OC6=CC=CC=C6)CSC7=NC(=C(O7)C8=CC=CC=C8)C9=CC=CC=C9

Names:
    DIOX2_017225
    1-[[2-[4-[(2R,4S,6R)-4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-3-(4-phenoxyphenyl)urea

Registries:
    PubChem CID 6698484
    PubChem ID 11324224