AIDS-123021

Molecular Formula: C₄₁H₅₉N₉O₈S

InChI: InChI=1/C41H59N9O8S/c1-4-31-38(55)46-40(56)49(39(31)59-30-22-27(2)21-28(3)23-30)20-14-11-15-34(52)43-18-12-9-7-5-6-8-10-13-19-44-35(53)17-16-29-25-50(41(57)45-37(29)54)36-24-32(47-48-42)33(26-51)58-36/h21-23,25,32-33,36,51H,4-20,24,26H2,1-3H3,(H,43,52)(H,44,53)(H,45,54,57)(H,46,55,56)/t32-,33+,36+/m0/s1/f/h43-46H

InChIKey: InChIKey=VWIDTURBGDJKBB-ITHNEMLIDD
SMILES: CCC1=C(N(C(=O)NC1=O)CCCCC(=O)NCCCCCCCCCCNC(=O)CCC2=CN(C(=O)NC2=O)C3CC(C(O3)CO)N=[N+]=[N-])SC4=CC(=CC(=C4)C)C

Names:
    AIDS-123021
    AIDS123021
    N-[10-[3-[1-[(2R,4S,5R)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxo-pyrimidin-5-yl]propanoylamino]decyl]-5-[6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-2,4-dioxo-pyrimidin-1-yl]pentanamide
    3'-Azido-2',3'-dideoxy-5-[N-15-[6-(3,5-dimethylphenylthio)-5-ethyl-1-(5-oxopentyl)uracil]-4,15-diaza-3-oxopentadecanyl]uridine

Registries:
    PubChem CID 474875
    PubChem ID 219386