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DBCO-PEG4-Val-Ala-PAB
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DBCO-PEG4-Val-Ala-PAB

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Catalog NumberCCR241
IUPAC Name(2S)-2-[3-[2-[2-[2-[2-[[4-(2-Azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-N-[(2S)-1-[4-(hydroxymethyl)anilino]-1-oxopropan-2-yl]-3-methylbutanamide
Molecular Weight828
Molecular FormulaC45H57N5O10
Canonical SMILESCC(C)C(C(=O)NC(C)C(=O)NC1=CC=C(C=C1)CO)NC(=O)CCOCCOCCOCCOCCNC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42
InChIInChI=1S/C45H57N5O10/c1-32(2)43(45(56)47-33(3)44(55)48-38-16-12-34(31-51)13-17-38)49-41(53)20-22-57-24-26-59-28-29-60-27-25-58-23-21-46-40(52)18-19-42(54)50-30-37-10-5-4-8-35(37)14-15-36-9-6-7-11-39(36)50/h4-13,16-17,32-33,43,51H,18-31H2,1-3H3,(H,46,52)(H,47,56)(H,48,55)(H,49,53)/t33-,43-/m0/s1
InChI KeyOLTDABCURIMHAK-CNFIALLCSA-N
ApplicationSPAAC & SPANC Click Reaction
Storage-20 °C
Complexity1410
Exact Mass827.41054303
Isomeric SMILESC[C@@H](C(=O)NC1=CC=C(C=C1)CO)NC(=O)[C@H](C(C)C)NC(=O)CCOCCOCCOCCOCCNC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42
Monoisotopic Mass827.41054303
Topological Polar Surface Area194Ų

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