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

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Catalog NumberCCR2348405934
CAS2348405-93-4
IUPAC Name[4-[[(2S)-2-[[(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]-3-methylbutanoyl]amino]propanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate
Molecular Weight993.1
Molecular FormulaC52H60N6O14
Canonical SMILESCC(C)C(C(=O)NC(C)C(=O)NC1=CC=C(C=C1)COC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)CCOCCOCCOCCOCCNC(=O)CCC(=O)N3CC4=CC=CC=C4C#CC5=CC=CC=C53
InChIInChI=1S/C52H60N6O14/c1-36(2)49(51(63)54-37(3)50(62)55-42-16-12-38(13-17-42)35-71-52(64)72-44-20-18-43(19-21-44)58(65)66)56-47(60)24-26-67-28-30-69-32-33-70-31-29-68-27-25-53-46(59)22-23-48(61)57-34-41-10-5-4-8-39(41)14-15-40-9-6-7-11-45(40)57/h4-13,16-21,36-37,49H,22-35H2,1-3H3,(H,53,59)(H,54,63)(H,55,62)(H,56,60)/t37-,49-/m0/s1
InChI KeySVLALBCQXVXUBB-HNKXTRRSSA-N
ApplicationSPAAC & SPANC Click Reaction
Storage-20 °C
Complexity1800
Exact Mass992.41675061
Isomeric SMILESC[C@@H](C(=O)NC1=CC=C(C=C1)COC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)[C@H](C(C)C)NC(=O)CCOCCOCCOCCOCCNC(=O)CCC(=O)N3CC4=CC=CC=C4C#CC5=CC=CC=C53
Monoisotopic Mass992.41675061
Topological Polar Surface Area255Ų

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