AIDS-123311

Molecular Formula: C55H68N8O12


InChI: InChI=1/C55H68N8O12/c1-4-5-6-26-75-42-23-19-36(20-24-42)34-11-9-33(10-12-34)35-13-15-38(16-14-35)49(68)58-43-8-7-25-57-51(70)44-27-39(56)29-62(44)54(73)47(32(3)65)60-53(72)48(37-17-21-40(66)22-18-37)61-52(71)45-28-41(67)30-63(45)55(74)46(31(2)64)59-50(43)69/h9-24,31-32,39,41,43-48,64-67H,4-8,25-30,56H2,1-3H3,(H,57,70)(H,58,68)(H,59,69)(H,60,72)(H,61,71)/t31?,32?,39-,41?,43-,44u,45u,46?,47?,48u/m0/s1/f/h57-61H

InChIKey: InChIKey=ITOSKUMAFVQXRH-GKHLDRKADM
SMILES: CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)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)C7=CC=C(C=C7)O)C(C)O)N

Names:
    AIDS-123311
    AIDS123311
    N-[(18S,26S)-26-Amino-3,15-bis(hydroxyethyl)-11-hydroxy-6-(4-hydroxyphenyl)-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexaazatricyclo[22.3.0.0<9,13>]heptacos-18-yl]{4-[4-(4-pentyloxyphenyl)phenyl]phenyl

Registries:
    PubChem CID 493706
    PubChem ID 219583