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N-(Methyltetrazine-PEG4)-N-biotin-PEG4-acid
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N-(Methyltetrazine-PEG4)-N-biotin-PEG4-acid

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Catalog NumberCCR343
IUPAC Name3-[2-[2-[2-[2-[5-[(3aR,4R,6aS)-2-Oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoyl-[2-[2-[2-[2-[2-[[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular Weight923.1
Molecular FormulaC42H66N8O13S
Canonical SMILESCC1=NN=C(N=N1)C2=CC=C(C=C2)CC(=O)NCCOCCOCCOCCOCCN(CCOCCOCCOCCOCCC(=O)O)C(=O)CCCCC3C4C(CS3)NC(=O)N4
InChIInChI=1S/C42H66N8O13S/c1-32-46-48-41(49-47-32)34-8-6-33(7-9-34)30-37(51)43-11-15-57-19-23-61-27-29-63-25-21-59-17-13-50(12-16-58-20-24-62-28-26-60-22-18-56-14-10-39(53)54)38(52)5-3-2-4-36-40-35(31-64-36)44-42(55)45-40/h6-9,35-36,40H,2-5,10-31H2,1H3,(H,43,51)(H,53,54)(H2,44,45,55)/t35-,36-,40-/m1/s1
InChI KeyYAODBOOVMSJKDF-IIUMRMCMSA-N
ApplicationIEDDA Click Reaction
Storage-20 °C
Complexity1290
Exact Mass922.44700536
Isomeric SMILESCC1=NN=C(N=N1)C2=CC=C(C=C2)CC(=O)NCCOCCOCCOCCOCCN(CCOCCOCCOCCOCCC(=O)O)C(=O)CCCC[C@@H]3[C@H]4[C@@H](CS3)NC(=O)N4
Monoisotopic Mass922.44700536
Topological Polar Surface Area279Ų

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