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Tetrazine-SS-biotin
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Tetrazine-SS-biotin

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Catalog NumberCCR2123482788
CAS2123482-78-8
IUPAC Name5-[(3aS,4S,6aR)-2-Oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[[3-oxo-3-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]propyl]disulfanyl]ethyl]pentanamide
Molecular Weight576.8
Molecular FormulaC24H32N8O3S3
Canonical SMILESC1C2C(C(S1)CCCCC(=O)NCCSSCCC(=O)NCC3=CC=C(C=C3)C4=NN=CN=N4)NC(=O)N2
InChIInChI=1S/C24H32N8O3S3/c33-20(4-2-1-3-19-22-18(14-36-19)29-24(35)30-22)25-10-12-38-37-11-9-21(34)26-13-16-5-7-17(8-6-16)23-31-27-15-28-32-23/h5-8,15,18-19,22H,1-4,9-14H2,(H,25,33)(H,26,34)(H2,29,30,35)/t18-,19-,22-/m0/s1
InChI KeyDNUZQOORFCMFKQ-IPJJNNNSSA-N
ApplicationIEDDA Click Reaction
Complexity768
Exact Mass576.17595043
Isomeric SMILESC1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCSSCCC(=O)NCC3=CC=C(C=C3)C4=NN=CN=N4)NC(=O)N2
Monoisotopic Mass576.17595043
Topological Polar Surface Area227Ų

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