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FAM DBCO, 6-isomer
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FAM DBCO, 6-isomer

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Catalog NumberCCR235
IUPAC NameN-[6-(2-Azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-6-oxohexyl]-3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxamide
Molecular Weight676.7
Molecular FormulaC42H32N2O7
Canonical SMILESC1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCCCCNC(=O)C4=CC5=C(C=C4)C(=O)OC56C7=C(C=C(C=C7)O)OC8=C6C=CC(=C8)O
InChIInChI=1S/C42H32N2O7/c45-30-16-19-33-37(23-30)50-38-24-31(46)17-20-34(38)42(33)35-22-28(15-18-32(35)41(49)51-42)40(48)43-21-7-1-2-12-39(47)44-25-29-10-4-3-8-26(29)13-14-27-9-5-6-11-36(27)44/h3-6,8-11,15-20,22-24,45-46H,1-2,7,12,21,25H2,(H,43,48)
InChI KeyQAATVTNRYVCIIR-UHFFFAOYSA-N
ApplicationSPAAC & SPANC Click Reaction
Storage-20 °C
Complexity1340
Exact Mass676.22095136
Monoisotopic Mass676.22095136
Topological Polar Surface Area125Ų

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