DIOX-H_004956
Molecular Formula:
C44H48N4O6S
InChI: InChI=1/C44H48N4O6S/c45-38-13-7-8-14-39(38)47-42(51)16-4-2-1-3-15-41(50)46-28-35-11-5-6-12-37(35)32-22-24-34(25-23-32)44-53-36(30-55-43-17-9-10-26-48(43)52)27-40(54-44)33-20-18-31(29-49)19-21-33/h5-14,17-26,36,40,44,49H,1-4,15-16,27-30,45H2,(H,46,50)(H,47,51)/t36-,40+,44+/m0/s1/f/h46-47H
InChIKey: InChIKey=VXNMDSKULXBCOL-JEKDBCDWDM
SMILES: C1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC=C4CNC(=O)CCCCCCC(=O)NC5=CC=CC=C5N)CSC6=CC=CC=[N+]6[O-]
Names:
DIOX-H_004956
N'-(2-aminophenyl)-N-[[2-[4-[(2R,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-[(1-oxidopyridin-6-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]octanediamide
Registries:
PubChem CID 6677209
PubChem ID 11302685
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