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endo-BCN-PEG3-mal
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endo-BCN-PEG3-mal

Catalog CCR2141976330
CAS 2141976-33-0
IUPAC Name [(1S,8R)-9-Bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethyl]carbamate
Molecular Weight 519.6
Molecular Formula C26H37N3O8
Canonical SMILES C1CC2C(C2COC(=O)NCCOCCOCCOCCNC(=O)CCN3C(=O)C=CC3=O)CCC#C1
InChI InChI=1S/C26H37N3O8/c30-23(9-12-29-24(31)7-8-25(29)32)27-10-13-34-15-17-36-18-16-35-14-11-28-26(33)37-19-22-20-5-3-1-2-4-6-21(20)22/h7-8,20-22H,3-6,9-19H2,(H,27,30)(H,28,33)/t20-,21+,22?
InChI Key ZZRUYTQNTVMKLG-CBQGHPETSA-N
Purity 98%
Appearance Oil
Application SPAAC & SPANC Click Reaction
Complexity 857
Exact Mass 519.25806515
Isomeric SMILES C1C[C@@H]2[C@@H](C2COC(=O)NCCOCCOCCOCCNC(=O)CCN3C(=O)C=CC3=O)CCC#C1
Monoisotopic Mass 519.25806515
Topological Polar Surface Area 133Ų

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