PubChem15759447

Molecular Formula: C₄₂H₄₆N₄O₁₆

InChI: InChI=1/C42H46N4O16/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29/h13-16,23-24,43-44H,3-12,17-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-16-,31-15-,32-16-/t23-,24-,41+,42+/m1/s1/i19+1,20+1,23+1,24+1,27+1,28+1,31+1,32+1/f/h47,49,51,53,55,57,59,61H

InChIKey: InChIKey=AVBHZKNQGDKVEA-KTQCOMRMHN
SMILES: CC1(C(C2=NC1=CC3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=C2)N5)CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O)C(C3CCC(=O)O)(C)CC(=O)O)CCC(=O)O)CC(=O)O

Names:
    PubChem15759447

Registries:
    PubChem CID 10724311
    PubChem ID 15759447