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DBCO-SS-aldehyde
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DBCO-SS-aldehyde

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Catalog NumberCCR209
IUPAC NameN-[2-[[3-[[3-(2-Azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-3-oxopropyl]disulfanyl]ethyl]-4-formylbenzamide
Molecular Weight571.7
Molecular FormulaC31H29N3O4S2
Canonical SMILESC1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)CCSSCCNC(=O)C4=CC=C(C=C4)C=O
InChIInChI=1S/C31H29N3O4S2/c35-22-23-9-11-26(12-10-23)31(38)33-18-20-40-39-19-16-29(36)32-17-15-30(37)34-21-27-7-2-1-5-24(27)13-14-25-6-3-4-8-28(25)34/h1-12,22H,15-21H2,(H,32,36)(H,33,38)
InChI KeyRQSKTIYFMRQDRL-UHFFFAOYSA-N
ApplicationSPAAC & SPANC Click Reaction
Complexity939
Exact Mass571.15994876
Monoisotopic Mass571.15994876
Topological Polar Surface Area146Ų

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