AIDS-123254

Molecular Formula: C56H69N7O12


InChI: InChI=1/C56H69N7O12/c1-4-5-6-30-75-43-24-20-39(21-25-43)37-14-12-36(13-15-37)38-16-18-40(19-17-38)50(68)58-44-8-7-28-57-53(71)46-27-29-62(46)55(73)48(33(2)64)60-52(70)45(26-11-35-9-22-41(66)23-10-35)59-54(72)47-31-42(67)32-63(47)56(74)49(34(3)65)61-51(44)69/h9-10,12-25,33-34,42,44-49,64-67H,4-8,11,26-32H2,1-3H3,(H,57,71)(H,58,68)(H,59,72)(H,60,70)(H,61,69)/t33?,34?,42-,44+,45u,46-,47u,48?,49?/m1/s1/f/h57-61H

InChIKey: InChIKey=LZOYRSLBIDWYFE-LSTPEXNWDC
SMILES: CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)NC4CCCNC(=O)C5CCN5C(=O)C(NC(=O)C(NC(=O)C6CC(CN6C(=O)C(NC4=O)C(C)O)O)CCC7=CC=C(C=C7)O)C(C)O

Names:
    AIDS-123254
    AIDS123254
    N-{(18S,12R,25R)-7,21-bis(Hydroxyethyl)-25-hydroxy-4-[2-(4-hydroxyphenyl)ethyl]-2,5,8,13,19,22-hexaoxo-3,6,9,14,20,23-hexaazatricyclo[21.3.0.0<9,12>]hexacos-18-yl

Registries:
    PubChem CID 493650
    PubChem ID 219526