Molecular Formula: C₇₆H₈₀N₂O₇

Molecular weight: 1133.4576

InChi: InChI=1S/C76H80N2O7/c1-3-19-82-69-59-31-51(17-15-49-11-7-5-8-12-49)32-60(69)36-64-40-68(74(80)78-76-46-56-28-57(47-76)30-58(29-56)48-76)42-66-38-62-34-52(18-16-50-13-9-6-10-14-50)33-61(70(62)83-20-4-2)37-65-41-67(39-63(35-59)71(65)84-23-21-81-22-24-85-72(64)66)73(79)77-75-43-53-25-54(44-75)27-55(26-53)45-75/h5-14,31-34,39-42,53-58H,3-4,19-30,35-38,43-48H2,1-2H3,(H,77,79)(H,78,80)

InChi Key: SMCRTAONNVQQSL-UHFFFAOYSA-N

SMILES: C12(NC(=O)c3cc4c5c(c3)Cc3c(c(Cc6c(c(Cc7c(c(C4)cc(c7)C#Cc4ccccc4)OCCC)cc(c6)C(=O)NC46CC7CC(C4)CC(C6)C7)OCCOCCO5)cc(c3)C#Cc3ccccc3)OCCC)CC3CC(C1)CC(C2)C3

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