DIOX2_014214
Molecular Formula:
C40H40N2O5S
InChI: InChI=1/C40H40N2O5S/c1-45-36-12-5-6-13-38(36)48-27-35-23-37(32-16-14-29(26-43)15-17-32)47-39(46-35)33-20-18-31(19-21-33)34-11-7-10-30(22-34)25-42-40(44)41-24-28-8-3-2-4-9-28/h2-22,35,37,39,43H,23-27H2,1H3,(H2,41,42,44)/t35-,37+,39+/m0/s1/f/h41-42H
InChIKey: InChIKey=HGHXHOOOVDKJRF-PWNXIRNADA
SMILES: COC1=CC=CC=C1SCC2CC(OC(O2)C3=CC=C(C=C3)C4=CC(=CC=C4)CNC(=O)NCC5=CC=CC=C5)C6=CC=C(C=C6)CO
Names:
DIOX2_014214
3-benzyl-1-[[3-[4-[(2R,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-[(2-methoxyphenyl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]urea
Registries:
PubChem CID 6695607
PubChem ID 11321213
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