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Cy5 DBCO
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Cy5 DBCO

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Catalog NumberCCR2182601723
CAS2182601-72-3
SynonymsCy5 DBCO (chloride)
IUPAC NameN-[3-(2-Azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-6-[(2E)-3,3-dimethyl-2-[(2E,4E)-5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indol-1-yl]hexanamide;chloride
Molecular Weight777.45
Molecular FormulaC50H53ClN4O2
Canonical SMILESCC1(C2=CC=CC=C2[N+](=C1C=CC=CC=C3C(C4=CC=CC=C4N3CCCCCC(=O)NCCC(=O)N5CC6=CC=CC=C6C#CC7=CC=CC=C75)(C)C)C)C.[Cl-]
InChIInChI=1S/C50H52N4O2.ClH/c1-49(2)40-23-14-17-26-43(40)52(5)45(49)28-8-6-9-29-46-50(3,4)41-24-15-18-27-44(41)53(46)35-19-7-10-30-47(55)51-34-33-48(56)54-36-39-22-12-11-20-37(39)31-32-38-21-13-16-25-42(38)54;/h6,8-9,11-18,20-29H,7,10,19,30,33-36H2,1-5H3;1H
InChI KeyHWIXBRHDYGXXEQ-UHFFFAOYSA-N
ApplicationSPAAC & SPANC Click Reaction
Complexity1600
Exact Mass776.3857046
Isomeric SMILESCC1(C2=CC=CC=C2[N+](=C1/C=C/C=C/C=C/3\C(C4=CC=CC=C4N3CCCCCC(=O)NCCC(=O)N5CC6=CC=CC=C6C#CC7=CC=CC=C75)(C)C)C)C.[Cl-]
Monoisotopic Mass776.3857046
Topological Polar Surface Area55.7Ų

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