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DBCO-PEG4-acetic-Val-Cit-PAB
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DBCO-PEG4-acetic-Val-Cit-PAB

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Catalog NumberCCR174
IUPAC Name(2S)-2-[[(2S)-2-[[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]acetyl]amino]-3-methylbutanoyl]amino]-5-(carbamoylamino)-N-[4-(hydroxymethyl)phenyl]pentanamide
Molecular Weight855.97
Molecular FormulaC45H57N7O10
Canonical SMILESCC(C)C(C(=O)NC(CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)CO)NC(=O)COCCOCCOCCNC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42
InChIInChI=1S/C45H57N7O10/c1-31(2)42(44(58)50-37(11-7-21-48-45(46)59)43(57)49-36-17-13-32(29-53)14-18-36)51-40(55)30-62-27-26-61-25-24-60-23-22-47-39(54)19-20-41(56)52-28-35-10-4-3-8-33(35)15-16-34-9-5-6-12-38(34)52/h3-6,8-10,12-14,17-18,31,37,42,53H,7,11,19-30H2,1-2H3,(H,47,54)(H,49,57)(H,50,58)(H,51,55)(H3,46,48,59)/t37-,42-/m0/s1
InChI KeyNICWZVHVGWDVOU-VPHSWYRMSA-N
AppearanceSolid
ApplicationSPAAC & SPANC Click Reaction
Complexity1510
Exact Mass855.41669104
Isomeric SMILESCC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)CO)NC(=O)COCCOCCOCCNC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42
Monoisotopic Mass855.41669104
Topological Polar Surface Area240Ų

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