AIDS-123016

Molecular Formula: C₄₂H₆₁N₉O₈S

InChI: InChI=1/C42H61N9O8S/c1-5-32-38(55)46-41(57)50(40(32)60-31-23-28(2)22-29(3)24-31)20-15-12-16-35(53)44-18-13-10-8-6-7-9-11-14-19-45-36(54)17-21-49-39(56)30(4)26-51(42(49)58)37-25-33(47-48-43)34(27-52)59-37/h22-24,26,33-34,37,52H,5-21,25,27H2,1-4H3,(H,44,53)(H,45,54)(H,46,55,57)/t33-,34+,37+/m0/s1/f/h44-46H

InChIKey: InChIKey=IYDPQFYEVNDKDY-IRKRUWHJDB
SMILES: CCC1=C(N(C(=O)NC1=O)CCCCC(=O)NCCCCCCCCCCNC(=O)CCN2C(=O)C(=CN(C2=O)C3CC(C(O3)CO)N=[N+]=[N-])C)SC4=CC(=CC(=C4)C)C

Names:
    AIDS-123016
    AIDS123016
    N-[10-[3-[3-[(2R,4S,5R)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2,6-dioxo-pyrimidin-1-yl]propanoylamino]decyl]-5-[6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-2,4-dioxo-pyrimidin-1-yl]pentanamide
    3'-Azido-3-[N-15-[6-3,5-dimethylphenylthio)-5-ethyl-1-(5-oxopentyl)uracil]-4,15-diaza-3-oxopentadecanyl]-3'-deoxythymidine

Registries:
    PubChem CID 474874
    PubChem ID 219381