AIDS-123023

Molecular Formula: C₄₀H₆₀N₆O₆S

InChI: InChI=1/C40H60N6O6S/c1-4-33-37(49)44-40(51)46(38(33)53-32-26-29(2)25-30(3)27-32)23-16-13-17-35(48)42-22-15-12-10-8-6-5-7-9-11-14-21-41-34-20-24-45(39(50)43-34)36-19-18-31(28-47)52-36/h20,24-27,31,36,47H,4-19,21-23,28H2,1-3H3,(H,42,48)(H,41,43,50)(H,44,49,51)/t31-,36+/m0/s1/f/h41-42,44H

InChIKey: InChIKey=RLKILMJAZQUIFT-AMCNICBVDG
SMILES: CCC1=C(N(C(=O)NC1=O)CCCCC(=O)NCCCCCCCCCCCCNC2=NC(=O)N(C=C2)C3CCC(O3)CO)SC4=CC(=CC(=C4)C)C

Names:
    AIDS-123023
    AIDS123023
    2',3'-Dideoxy-4-N-[N-13-[6-(3,5-dimethylphenylthio)-5-ethyl-1-(5-oxopentyl)uracil]-13-azadodecyl]cytidine
    5-[6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-2,4-dioxo-pyrimidin-1-yl]-N-[12-[[1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-pyrimidin-4-yl]amino]dodecyl]pentanamide

Registries:
    PubChem CID 493555
    PubChem ID 219388