AIDS-123313

Molecular Formula: C₅₇H₈₀N₁₀O₁₂

InChI: InChI=1/C57H80N10O12/c1-4-5-6-7-8-12-30-78-44-23-21-42(22-24-44)65-28-26-64(27-29-65)41-19-17-39(18-20-41)50(71)60-45-16-13-25-59-52(73)46-31-40(58)33-66(46)56(76)49(37(3)69)62-54(75)55(79-35-38-14-10-9-11-15-38)63-53(74)47-32-43(70)34-67(47)57(77)48(36(2)68)61-51(45)72/h9-11,14-15,17-24,36-37,40,43,45-49,55,68-70H,4-8,12-13,16,25-35,58H2,1-3H3,(H,59,73)(H,60,71)(H,61,72)(H,62,75)(H,63,74)/t36?,37?,40-,43+,45-,46u,47u,48?,49?,55+/m0/s1/f/h59-63H

InChIKey: InChIKey=VZXANEVBWBIFMR-IIZGSSDDDC
SMILES: CCCCCCCCOC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=O)NC4CCCNC(=O)C5CC(CN5C(=O)C(NC(=O)C(NC(=O)C6CC(CN6C(=O)C(NC4=O)C(C)O)O)OCC7=CC=CC=C7)C(C)O)N

Names:
    AIDS-123313
    AIDS123313
    N-[(18S,26S,6R,11R)-26-Amino-3,15-bis(hydroxyethyl)-11-hydroxy-2,5,8,14,17,23-hexaoxo-6-(phenylmethoxy)-1,4,7,13,16,22-hexaazatricyclo[22.3.0.0<9,13>]heptacos-18-yl]{4-[4-(4-octyloxyphenyl)piperazinyl]phenyl

Registries:
    PubChem CID 493708
    PubChem ID 219585