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Biotin-MeTz
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Biotin-MeTz

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Catalog NumberCCR1802883517
CAS1802883-51-7
IUPAC Name5-[(3aS,4S,6aR)-2-Oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]pentanamide
Molecular Weight427.5
Molecular FormulaC20H25N7O2S
Canonical SMILESCC1=NN=C(N=N1)C2=CC=C(C=C2)CNC(=O)CCCCC3C4C(CS3)NC(=O)N4
InChIInChI=1S/C20H25N7O2S/c1-12-24-26-19(27-25-12)14-8-6-13(7-9-14)10-21-17(28)5-3-2-4-16-18-15(11-30-16)22-20(29)23-18/h6-9,15-16,18H,2-5,10-11H2,1H3,(H,21,28)(H2,22,23,29)/t15-,16-,18-/m0/s1
InChI KeyCYKMCHSUZVIUJZ-BQFCYCMXSA-N
ApplicationIEDDA Click Reaction
Complexity594
Exact Mass427.17904424
Isomeric SMILESCC1=NN=C(N=N1)C2=CC=C(C=C2)CNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4
Monoisotopic Mass427.17904424
Topological Polar Surface Area147Ų

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